SCHEMBL8638748

SCHEMBL8638748

COc1ccc(C=CC(=O)Nc2cc(OC)c(OC)cc2C(N)=O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
HPGD P15428 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
NPSR1 Q6W5P4 2/20 0.67
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
KDM4E B2RXH2 6/20 0.67
RAB9A P51151 4/20 0.67
TP53 P04637 3/20 0.67
NPC1 O15118 3/20 0.67
CYP3A4 P08684 2/20 0.67
HIF1A Q16665 2/20 0.67
PKM P14618 2/20 0.67
CYP1A2 P05177 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MAPK1 P28482 2/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
ABCC4 O15439 1/20 0.67
HPGDS O60760 1/20 0.67

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
SCHEMBL8638736 1.00 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL8640013 0.92 MEN1 (0.70) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL8640000 0.92 MEN1 (0.70) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL2839289 0.90 MAPT (0.79) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL2839285 0.90 MAPT (0.79) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL8641537 0.89 HPGD (0.66) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL8641527 0.89 HPGD (0.66) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL16215210 0.89 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL8635641 0.89 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1
SCHEMBL8635626 0.89 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2NPSR1MEN1

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