SCHEMBL5010732

SCHEMBL5010732

c1ccc(CC(c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KIF11 P52732 3/20 0.40
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL5010143 0.80 KIF11 (0.41) ACP3CYP1A2CYP2C9CYP2C19KIF11
SCHEMBL126749 0.76 CYP2C9 (0.58) CYP1A2CYP2C9CYP2C19KIF11ATM
SCHEMBL30084848 0.75 KIF11 (0.47) ACP3CYP1A2CYP2C9CYP2C19KIF11
SCHEMBL8520409 0.74 CYP2C9 (0.48) CYP1A2CYP2C9CYP2C19KIF11CYP2D6
SCHEMBL10556172 0.74 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19KIF11ATM
Water SCHEMBL28108007 0.74 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19KIF11ATM
Ammonia Solution, Strong SCHEMBL28084695 0.74 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19KIF11ATM
SCHEMBL30797203 0.74 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19KIF11ATM
SCHEMBL3404551 0.73 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19KIF11CYP2D6
SCHEMBL5012463 0.72 ACP3 (0.46) ACP3CYP1A2CYP2C9CYP2C19KIF11

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed