SCHEMBL9333311

SCHEMBL9333311

Cc1ccccc1/C(=C\N(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
MYC P01106 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B1 P15538 1/20 0.38

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
SCHEMBL9493449 1.00 KMT2A (0.46) KMT2AERCC5FEN1HPGDMEN1
SCHEMBL19041315 0.81 RECQL (0.45) KMT2AERCC5FEN1HPGDGPR52
SCHEMBL9464464 0.81 ERCC5 (0.52) KMT2AERCC5FEN1HPGDTSHR
SCHEMBL9333335 0.79 ERCC5 (0.50) KMT2AERCC5FEN1HPGDTSHR
SCHEMBL9333326 0.79 ERCC5 (0.50) KMT2AERCC5FEN1HPGDTSHR
SCHEMBL4771127 0.79 NFE2L2 (0.45) KMT2AMEN1SMN1; SMN2
SCHEMBL3171296 0.79 KMT2A (0.44) KMT2AERCC5FEN1HPGDMEN1
SCHEMBL3171304 0.79 KMT2A (0.44) KMT2AERCC5FEN1HPGDMEN1
SCHEMBL4771138 0.79 NFE2L2 (0.45) KMT2AMEN1SMN1; SMN2
SCHEMBL9563141 0.78 ERCC5 (0.49) KMT2AERCC5FEN1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594573-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES AgrEvo UK Limited (GB) 1994-05-04 EP disclosed
US-5264609-A Etherification and hydrolysis SCHERING AGROCHEMICALS LIMITED (GB) 1993-11-23 US disclosed
WO-1991007385-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES SCHERING AGROCHEMICALS LIMITED (GB) 1991-05-30 WO disclosed