SCHEMBL3085828

SCHEMBL3085828

CCCCCCCC(CC)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
PLAT P00750 1/20 0.40
CYP19A1 P11511 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GPX4 P36969 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
GRM2 Q14416 1/20 0.37
ACHE P22303 1/20 0.37
AOC3 Q16853 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL27582981 0.93 PLAT (0.46) NR1I2PLATCYP19A1NPC1ALDH1A1
SCHEMBL20862381 0.93 PLAT (0.44) NR1I2PLATCYP19A1ALDH1A1ACHE
SCHEMBL8860484 0.86 CTSB (0.39) NR1I2PLATNPC1ALDH1A1TP53
SCHEMBL8860487 0.84 CYP19A1 (0.51) CYP19A1NPC1ALDH1A1TP53GPX4
SCHEMBL8860503 0.84 CYP19A1 (0.51) CYP19A1NPC1ALDH1A1TP53GPX4
SCHEMBL3294064 0.84 PLAT (0.46) PLATCYP19A1ACHEAOC3PSEN1
SCHEMBL28710729 0.83 NR1I2 (0.44) NR1I2
SCHEMBL18885428 0.83 OPRM1 (0.47) NR1I2
SCHEMBL22025102 0.83 NR1I2 (0.47) NR1I2
SCHEMBL23252502 0.83 HRH1 (0.44) PLATCYP19A1ACHEAOC3ACP3

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 13 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
EP-1200377-A4 PROCESS FOR PRODUCING PHENYL-ALKANES COMPOSITIONS PRODUCED THEREFROM, AND USES THEREOF UOP LLC (US) 2007-10-17 EP disclosed
EP-1487767-A1 PROCESS FOR PRODUCING SELECTED PHENYL-ALKANES WITH ADSORPTIVE SEPARATION STEP UOP LLC (US) 2004-12-22 EP disclosed
US-20040116756-A1 Phenyl-alkane compositions produced using an adsorptive separation section UOP LLC 2004-06-17 US disclosed
WO-2003082783-A1 PROCESS FOR PRODUCING SELECTED PHENYL-ALKANES WITH ADSORPTIVE SEPARATION STEP UOP LLC (US) 2003-10-09 WO 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-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
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
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