SCHEMBL7651334

SCHEMBL7651334

CC1=Cc2c(cccc2-c2cccc3c2ccc2ccccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.44
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 5/20 0.38
CYP2A6 P11509 3/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 5/20 0.37
HPGD P15428 4/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
HIF1A Q16665 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAX8 Q06710 1/20 0.34
MEN1 O00255 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
SCHEMBL30229790 0.92 HTR7 (0.41) ALDH1A1CYP2A6CYP1A2HPGDHTR1A
SCHEMBL4467543 0.92 HTR7 (0.41) ALDH1A1CYP2A6CYP1A2HPGDHTR1A
SCHEMBL22685830 0.88 ALDH1A1 (0.42) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL7635425 0.83 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6330045 0.81 HTR1A (0.34) ALDH1A1HSD17B10CYP2A6TSHRCYP1A2
SCHEMBL26606302 0.81 MAOA (0.34) ALDH1A1TSHRTDP1HPGDCYP3A4
SCHEMBL29060477 0.78 HTR1A (0.45) ALDH1A1HSD17B10CYP2A6TSHRCYP1A2
SCHEMBL29776114 0.78 HTR1A (0.45) ALDH1A1HSD17B10CYP2A6TSHRCYP1A2
SCHEMBL1822675 0.78 KDM4E (0.43) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29481537 0.78 KDM4E (0.43) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002038637-A1 METHOD FOR COPOLYMERIZING PROPENE AND/OR ETHENE WITH 1-OLEFINS ON METALLOCENE CARRIER CATALYSTS BASELL POLYPROPYLEN GMBH (DE) 2002-05-16 WO disclosed