SCHEMBL8939122

SCHEMBL8939122

COC(=O)C([NH])Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
SRR Q9GZT4 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL8892531 0.84 MMP8 (0.58) ALDH1A1HSD17B10KMT2AMEN1POLB
SCHEMBL2860871 0.81 ALDH1A1 (0.53) ALDH1A1KMT2ASRRLMNAL3MBTL1
SCHEMBL10339292 0.81 KMT2A (0.65) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL1442737 0.81 MMP8 (0.58) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7383551 0.81 ITGA4 (0.50) ATMPOLBSRRCA12CA7
SCHEMBL117431 0.80 CYP1A2 (0.60) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL979240 0.79 KMT2A (0.55) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL517463 0.79 ALDH1A1 (0.60) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL391783 0.79 PPARG (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6284438 0.79 ATM (0.54) ATMALDH1A1THRBCYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494888-A ACETOLACTATE SYNTHASE INHIBITOR LUCKY LTD. (KR) 1996-02-27 US disclosed
EP-0608862-A1 Novel 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl) oxybenzoic acid ester derivatives, processes for their production an a method for their application as herbicides LUCKY LTD. (KR) 1994-08-03 EP disclosed