SCHEMBL3099744

SCHEMBL3099744

[CH]1[CH]c2cccc3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
HSD17B10 Q99714 7/20 0.53
HPGD P15428 7/20 0.53
TSHR P16473 5/20 0.53
CYP3A4 P08684 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53
CES2 O00748 1/20 0.46
BCHE P06276 1/20 0.46
CES1 P23141 1/20 0.46
MCL1 Q07820 1/20 0.46
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
THRB P10828 1/20 0.41
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 4/20 0.38

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
SCHEMBL1316489 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL26037 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL8872842 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29575794 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL23300518 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL11591300 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4
Bromide SCHEMBL8065180 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL11766347 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL38652046 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4
Bromide SCHEMBL8065175 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188202-B2 Making polymers based on monomer 9,9-Diallylfluorene; diallyl groups form cyclohexane ring upon polymerization; superior heat resistance; use of diimine-based nickel complex catalyst, organoaluminum, and boron compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-29 US disclosed
US-7799886-B2 Diene polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-21 US disclosed
US-20100234546-A1 DIENE POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090221774-A1 DIENE POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-03 US disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
US-6355735-B1 NON-GLYCIDYL EPOXY AND OLEFIN MONOMERS; PALLADIUM COMPOUND POLYMERIZATION CATALYST UNIFORMLY DISTRIBUTED; VIBRATION DAMPING; ADHESIVES, SEALS, GASKETS 3M INNOVATIVE PROPERTIES COMPANY 2002-03-12 US disclosed
US-5093499-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1992-03-03 US disclosed