SCHEMBL8607167

SCHEMBL8607167

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.34
CA2 P00918 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
SCHEMBL8608124 0.92 LMNA (0.45) LMNARECQLALDH1A1POLBKMT2A
SCHEMBL8606888 0.83 TAS1R3 (0.49) ALDH1A1KDM4EGAAMAPK1TAS1R3
SCHEMBL8335744 0.81 GAA (0.50) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8608294 0.80 MAPK1 (0.51) ALDH1A1KDM4EGAAMAPK1TAS1R3
SCHEMBL8606900 0.80 HSP90AA1 (0.49) CYP2C9LMNAALDH1A1ATMTYR
SCHEMBL8608397 0.79 GAA (0.43) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL8608134 0.78 SMN1; SMN2 (0.45) CYP2C9CYP2C19LMNARECQLALDH1A1
SCHEMBL8607170 0.78 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8606008 0.78 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8605765 0.76 GAA (0.35) CYP1A2CYP2C9CYP2C19LMNARECQL

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