SCHEMBL7488343

SCHEMBL7488343

CC(=O)c1cc(C=O)c2occc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ERN1 O75460 12/20 0.36
CYP2A6 P11509 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.34
CYP1B1 Q16678 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
HTR1B P28222 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL4348787 0.78 ERN1 (0.41) KDM4EPOLBMAPTHSD17B10ERN1
SCHEMBL26095095 0.77 MAPT (0.39) KDM4EPOLBMAPTHSD17B10CYP2A6
SCHEMBL30950146 0.77 MAPT (0.39) KDM4EPOLBMAPTHSD17B10CYP2A6
SCHEMBL24339599 0.76 ERN1 (0.44) KDM4EMAPTERN1CYP2A6ALDH1A1
SCHEMBL7480987 0.74 PKM (0.51) KDM4EPOLBMAPTHSD17B10CYP2A6
SCHEMBL31141575 0.74 CYP2A6 (0.52) KDM4EPOLBERN1CYP2A6ALDH1A1
SCHEMBL4148963 0.73 ERN1 (0.48) MAPTERN1CYP2A6CYP3A4
SCHEMBL7492866 0.72 CDK1 (0.40) ERN1CYP2A6ALDH1A1ABCB1CYP3A4
SCHEMBL4988758 0.72 ERN1 (0.53) KDM4EMAPTHSD17B10ERN1CYP2A6
SCHEMBL29433461 0.72 MAPT (0.42) POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 EP disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 US disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 EP disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 WO disclosed