SCHEMBL3092364

SCHEMBL3092364

CCCCCCC(C)(CCCC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
EBP Q15125 1/20 0.40
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
KIF11 P52732 1/20 0.39
GAA P10253 1/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
DNM1 Q05193 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18479352 0.98 CYP2C19 (0.44) CYP2C19HIF1ASIGMAR1EBPCNR2
Ethane SCHEMBL21837210 0.94 CYP2C19 (0.44) CYP2C19HIF1ASIGMAR1EBPCNR2
SCHEMBL22041472 0.94 CYP2C19 (0.47) CYP2C19HIF1ASIGMAR1KIF11TAAR1
SCHEMBL3085827 0.90 CYP2C19 (0.41) CYP2C19HIF1ASIGMAR1EBPCNR2
SCHEMBL28670436 0.90 CYP2C19 (0.44) CYP2C19HIF1ASIGMAR1KIF11TAAR1
SCHEMBL9524036 0.87 SIGMAR1 (0.41) CYP2C19HIF1ASIGMAR1EBPCNR2
SCHEMBL17351152 0.87 TAAR1 (0.47) CYP2C19HIF1ASIGMAR1EBPCNR2
SCHEMBL10455028 0.86 CYP2C19 (0.44) CYP2C19HIF1ASIGMAR1KIF11TAAR1
SCHEMBL28722335 0.85 CYP2C19 (0.40) CYP2C19HIF1ASIGMAR1EBPKIF11
SCHEMBL22972830 0.84 SIGMAR1 (0.40) SIGMAR1EBPCNR2CNR1KIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795483-B2 Phenyl-alkane compositions produced using an adsorptive separation section UOP LLC (US) 2010-09-14 US disclosed
EP-1200377-B1 PROCESS FOR PRODUCING PHENYL-ALKANES UOP LLC (US) 2010-03-10 EP disclosed
CN-100415713-C Detergent compositions containing modified alkylaryl sulfonate surfactants PROCTER & GAMBLE (US) 2008-09-03 CN disclosed
CN-100358847-C Method for producing selected phenylparaffin with adsorptive separation step UOP INC (US) 2008-01-02 CN disclosed
EP-1200377-A4 PROCESS FOR PRODUCING PHENYL-ALKANES COMPOSITIONS PRODUCED THEREFROM, AND USES THEREOF UOP LLC (US) 2007-10-17 EP disclosed
CN-1625537-A Method for producing selected phenylparaffin with adsorptive separation step UOP INC (US) 2005-06-08 CN disclosed
EP-1194402-B1 DETERGENT COMPOSITIONS CONTAINING MODIFIED ALKYLARYL SULFONATE SURFACTANTS PROCTER & GAMBLE (US) 2005-05-04 EP disclosed
US-20040116756-A1 Phenyl-alkane compositions produced using an adsorptive separation section UOP LLC 2004-06-17 US disclosed
US-6617481-B1 By paraffin adsorptive separation followed by paraffin dehydrogenation and then by alkylation of a phenyl compound by a lightly branched olefin; silicalite adsorbent; C5-C8 paraffin desorbent UOP LLC 2003-09-09 US disclosed
US-6589927-B1 Making alkylbenzenesulfonate surfactants. The processes herein include a combination of two essential steps, delinearization and alkylation. The delinearization step selected herein introduces particular types of limited branching into an THE PROCTER & GAMBLE COMPANY 2003-07-08 US disclosed
US-6521804-B1 Alkylation of an aryl compound with an olefinic compound and which uses a mordenite catalyst and a silica-alumina catalyst. UOP LLC 2003-02-18 US disclosed
US-6515169-B1 A modified arylalkane sulfonate composition, wherein the modified arylalkane sulfonate is produced by a process comprising the steps of: passing a feed stream containing C8-C28 paraffins to an isomerization zone, operating the UOP LLC 2003-02-04 US disclosed
CN-1374945-A Detergent compositions containing modified alkylaryl sulfonate surfactants PROCTER & GAMBLE (US) 2002-10-16 CN disclosed
US-6448458-B1 MODIFIED ALKYLBENZENES (MAB); EFFICIENTLY RECOVERS PARAFFINS IN ALKYLATION EFFLUENT TO PRODUCE VALUABLE ARYLALKANE PRODUCTS; MAB CAN BE SULFONATED TO PRODUCE LIGHTLY BRANCHED LINEAR ALKYLBENZENE SULFONATE DETERGENTS, BIODEGRADABLE UOP LLC 2002-09-10 US disclosed
EP-1200377-A1 PROCESS FOR PRODUCING PHENYL-ALKANES COMPOSITIONS PRODUCED THEREFROM, AND USES THEREOF UOP LLC (US) 2002-05-02 EP disclosed
EP-1194402-A1 DETERGENT COMPOSITIONS CONTAINING MODIFIED ALKYLARYL SULFONATE SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2002-04-10 EP disclosed
US-6187981-B1 ISOMERIZATION, DEHYDROGENATION AND ALKYLATION UOP LLC 2001-02-13 US disclosed
WO-2001005733-A1 PROCESS FOR PRODUCING PHENYL-ALKANES COMPOSITIONS PRODUCED THEREFROM, AND USES THEREOF UOP LLC (US) 2001-01-25 WO disclosed
WO-2001005755-A1 DETERGENT COMPOSITIONS CONTAINING MODIFIED ALKYLARYL SULFONATE SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed
US-6111158-A CONTACTING MONOOLEFIN MOLECULES WITH ARYL COMPOUND AT ALKYLATION CONDITIONS IN PRESENCE OF ZEOLITE HAVING NES STRUCTURE TYPE SELECTIVE TO 2-PHENYLALKANES UOP LLC (US) 2000-08-29 US disclosed