SCHEMBL8608397

SCHEMBL8608397

Cc1cc(CC(=O)NC(C)CN)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 4/20 0.38
VCAM1 P19320 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
HMGCR P04035 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8606831 0.92 GAA (0.50) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8606954 0.84 CACNA1I (0.37) GAAKMT2AVCAM1POLBALDH1A1
SCHEMBL9556746 0.81 CYP1A2 (0.49) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8608652 0.81 ALDH1A1 (0.39) GAACYP1A2KMT2AVCAM1POLB
SCHEMBL8608142 0.81 CA1 (0.43) GAACYP1A2CYP2C9KMT2APOLB
SCHEMBL8606817 0.80 HSPA5 (0.50) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8608398 0.80 GAA (0.43) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8606077 0.79 GAA (0.48) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8607167 0.79 CYP1A2 (0.41) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8608862 0.78 GAA (0.36) GAACYP1A2CYP2C9CYP2C19KMT2A

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-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed