SCHEMBL8745792

SCHEMBL8745792

CCS(=O)(=O)Oc1cc2c(C)c(CCCl)c(=O)oc2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
ALPI P09923 2/20 0.45
ALPL P05186 1/20 0.45
ALDH1A2 O94788 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALDH2 P05091 2/20 0.44
ALDH1B1 P30837 2/20 0.44
ALDH1A3 P47895 2/20 0.44
STS P08842 1/20 0.43
POLB P06746 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B3 P37058 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL9148098 0.82 ALDH1A1 (0.48) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8745786 0.81 NQO1 (0.49) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8807713 0.80 ALDH1A1 (0.48) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8745784 0.80 NQO1 (0.50) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8745785 0.79 NQO1 (0.52) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8745813 0.77 BRAF (0.49)
SCHEMBL8745793 0.77 NQO1 (0.56) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8745776 0.77 NQO1 (0.59) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL8745768 0.76 NQO1 (0.44) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1
SCHEMBL9080519 0.74 NQO1 (0.58) NQO1ALDH1A2ALDH1A1ALDH2ALDH1B1

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-0663911-B1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE SCHWABE WILLMAR GMBH & CO (DE) 1997-02-05 EP disclosed
US-5550129-A THERAPY FOR NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS WILLMAR SCHWABE GMBH & CO. (DE) 1996-08-27 US disclosed
EP-0663911-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE. SCHWABE WILLMAR GMBH & CO (DE) 1995-07-26 EP disclosed
WO-1994008985-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1994-04-28 WO disclosed