SCHEMBL9684957

SCHEMBL9684957

O=C(c1ccc2[nH]c(=O)oc2c1)c1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.50
CREBBP Q92793 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GRIA1 P42261 1/20 0.44
SMYD3 Q9H7B4 1/20 0.42
SYK P43405 1/20 0.42
IGFBP3 P17936 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MCL1 Q07820 1/20 0.40
ESR1 P03372 1/20 0.39
OGT O15294 1/20 0.39
IL4I1 Q96RQ9 1/20 0.39
NOS1 P29475 1/20 0.39
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL6647933 0.76 ALDH1A1 (0.60) CREBBPKDM4EALDH1A1SMYD3PDE3B
SCHEMBL9682938 0.75 TOP2A (0.51) CREBBPKDM4EALDH1A1GRIA1SMYD3
SCHEMBL858860 0.73 CREBBP (0.48) CNR2CREBBPKDM4EALDH1A1SMYD3
SCHEMBL9368243 0.73 ALDH1A1 (0.53) CREBBPKDM4EALDH1A1SMYD3SYK
SCHEMBL31357187 0.72 CNR2 (0.70) CNR2ALDH1A1IGFBP3NOS1
SCHEMBL5084291 0.72 CNR2 (0.70) CNR2ALDH1A1IGFBP3NOS1
SCHEMBL4404077 0.72 CNR2 (0.64) CNR2ALDH1A1IGFBP3NOS1
SCHEMBL9684816 0.71 ALDH1A1 (0.55) CREBBPKDM4EALDH1A1SMYD3ESR1
SCHEMBL9684965 0.71 ALDH1A1 (0.55) CREBBPKDM4EALDH1A1SMYD3PDE3B
Water SCHEMBL27550989 0.71 CNR2 (0.68) CNR2ALDH1A1IGFBP3NOS1

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-5147883-A Antiischemic, stroke ADIR ET COMPAGNIE (FR) 1992-09-15 US disclosed