SCHEMBL5010143

SCHEMBL5010143

CCC(c1ccccc1)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 2/20 0.38
ACP3 P15309 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KCNN4 O15554 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
SCHEMBL10771644 0.83 ESR1 (0.43) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL16721031 0.82 CYP2C19 (0.44) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL5010732 0.80 ACP3 (0.42) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL6547735 0.76 ALDH1A1 (0.43) CYP2C19CYP1A2CYP2D6HSD17B10CYP2C9
SCHEMBL2127614 0.76 ALDH1A1 (0.43) CYP2C19CYP1A2CYP2D6HSD17B10CYP2C9
SCHEMBL7217419 0.76 KIF11 (0.41) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL30084848 0.76 KIF11 (0.47) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL8804043 0.76 KIF11 (0.38) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL7907348 0.76 ALDH1A1 (0.39) KIF11CYP2C19CYP1A2CYP2D6HSD17B10
SCHEMBL14315573 0.75 KIF11 (0.43) KIF11CYP2C19CYP1A2CYP2D6HSD17B10

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