SCHEMBL2376145

SCHEMBL2376145

C=C(CCCC)c1ccccc1.C=Cc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.37
ESR1 P03372 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
LMNA P02545 1/20 0.34

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
Styrene SCHEMBL5287077 0.91 ALDH1A1 (0.47) PTGS2CES2CES1ALDH1A1TSHR
Styrene SCHEMBL11565626 0.88 ALDH1A1 (0.44) PTGS2CES2CES1ALDH1A1TSHR
SCHEMBL26185780 0.86 TAS1R3 (0.44) PTGS2CES2CES1ALDH1A1ESR1
SCHEMBL28429904 0.86 THRA (0.46) PTGS2CES2CES1ALDH1A1HPGD
SCHEMBL1503077 0.84 ALDH1A1 (0.42) PTGS2CES2CES1ALDH1A1CYP3A4
Styrene SCHEMBL9765284 0.84 CES2 (0.46) PTGS2CES2CES1ALDH1A1TSHR
Styrene SCHEMBL14058497 0.83 PTGS2 (0.40) PTGS2CES2CES1ALDH1A1TSHR
SCHEMBL20448 0.82 PTGS2 (0.57) PTGS2CES2CES1ALDH1A1ESR1
SCHEMBL9715780 0.81 TAS1R3 (0.43) CES2CES1ALDH1A1MEN1KMT2A
Styrene SCHEMBL27084529 0.81 ALDH1A1 (0.50) PTGS2CES2CES1ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988873-B1 POLYMERS CONTAINING SILICONE COPOLYOL MACROMERS AND PERSONAL CARE COMPOSITIONS CONTAINING SAME LUBRIZOL ADVANCED MAT INC (US) 2013-01-09 EP claimed
US-8021650-B2 Polymers containing silicone copolyol macromers and personal care compositions containing same LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-09-20 US claimed
EP-1988873-A2 POLYMERS CONTAINING SILICONE COPOLYOL MACROMERS AND PERSONAL CARE COMPOSITIONS CONTAINING SAME Lubrizol Advanced Materials, Inc. (US) 2008-11-12 EP claimed
WO-2007101059-A2 POLYMERS CONTAINING SILICONE COPOLYOL MACROMERS AND PERSONAL CARE COMPOSITIONS CONTAINING SAME LUBRIZOL ADVANCED MATERIALS, INC. (US) 2007-09-07 WO claimed
US-20070202069-A1 Polymers Containing Silicone Copolyol Macromers and Personal Care Compositions Containing Same LUBRIZOL ADVANCED MATERIALS, INC. 2007-08-30 US claimed
US-5053151-A Ethylene-alpha-olefin copolymer grafted with unsaturated carboxy compound EXXON CHEMICAL PATENTS INC. (US) 1991-10-01 US disclosed