SCHEMBL8607170

SCHEMBL8607170

Cc1cc(C(=O)NCC(C)N)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
EPHX2 P34913 1/20 0.38
MAOB P27338 2/20 0.37
GAA P10253 4/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
ESRRG P62508 1/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8608126 0.92 LMNA (0.45) LMNARECQLMAOBGAAKMT2A
SCHEMBL8606889 0.83 TAS1R3 (0.43) EPHX2GAAKMT2APTGS1PTGS2
SCHEMBL8335744 0.81 GAA (0.50) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8606008 0.81 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL497118 0.80 GAA (0.54) LMNARECQLMAOBGAAKMT2A
SCHEMBL8608296 0.80 TNFRSF1A (0.41) EPHX2GAAKMT2AHSD17B10PTGS1
SCHEMBL8606902 0.80 HSP90AA1 (0.49) CYP2C9LMNAGAAKMT2AHSD17B10
SCHEMBL8608398 0.79 GAA (0.43) CYP1A2CYP2C9CYP2C19LMNAGAA
SCHEMBL8034363 0.79 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8608137 0.78 NR5A2 (0.46) CYP2C9CYP2C19GAAKMT2AHSD17B10

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