SCHEMBL8637131

SCHEMBL8637131

CCOc1ccc(C=CC(=O)Nc2cc(OC)c(OC)cc2C(=O)NCCO)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
MAPT P10636 6/20 0.51
KDM4E B2RXH2 4/20 0.51
TP53 P04637 3/20 0.51
PKM P14618 3/20 0.51
CYP3A4 P08684 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HIF1A Q16665 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL8637120 1.00 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8639451 0.93 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8639462 0.93 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8643705 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8643716 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8640013 0.85 MEN1 (0.70) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8640000 0.85 MEN1 (0.70) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8637345 0.83 HPGD (0.57) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8637327 0.83 HPGD (0.57) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8636702 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2

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
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed