SCHEMBL3083071

SCHEMBL3083071

CCCCCCCCCC(C)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.39
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
P2RX7 Q99572 1/20 0.36
SOAT1 P35610 1/20 0.36
PPARG P37231 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6679848 1.00 MEN1 (0.40) MEN1KMT2ANPSR1ESR1CSNK1E
SCHEMBL507787 1.00 MEN1 (0.40) MEN1KMT2ANPSR1ESR1CSNK1E
SCHEMBL6683689 0.98 ESR1 (0.41) MEN1KMT2ANPSR1ESR1CSNK1E
Hydrogen Peroxide SCHEMBL9456481 0.96 CSNK1E (0.43) MEN1KMT2ANPSR1CSNK1EALDH1A1
SCHEMBL6683709 0.92 ESR1 (0.42) MEN1KMT2ANPSR1ESR1TSHR
SCHEMBL6684349 0.88 CSNK1E (0.42) MEN1KMT2ANPSR1CSNK1EALDH1A1
SCHEMBL6678854 0.86 TSHR (0.43) MEN1KMT2ANPSR1CSNK1EALDH1A1
SCHEMBL11800593 0.84 ESR1 (0.45) ESR1TSHRP2RX7GPR84
SCHEMBL6681407 0.83 SOAT1 (0.44) CSNK1EALDH1A1SOAT1
SCHEMBL7648740 0.83 CYSLTR2 (0.48) MEN1KMT2ANPSR1ESR1CSNK1E

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 23 patents — showing the first 20. 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-100443451-C Process for preparing alkylaryl compounds and alkylaryl sulfonates BASF AG (DE) 2008-12-17 CN 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-1874978-A Method for producing alkylaryl compounds and alkylaryl sulphonates BASF AG (DE) 2006-12-06 CN 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
EP-1487767-A1 PROCESS FOR PRODUCING SELECTED PHENYL-ALKANES WITH ADSORPTIVE SEPARATION STEP UOP LLC (US) 2004-12-22 EP 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-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