SCHEMBL8745784

SCHEMBL8745784

COc1cc2oc(=O)c(CCOS(C)(=O)=O)c(C)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
POLB P06746 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A2 O94788 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALDH1B1 P30837 3/20 0.44
ALDH1A3 P47895 3/20 0.44
ALDH2 P05091 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STS P08842 1/20 0.41
ACHE P22303 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B3 P37058 1/20 0.40

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
SCHEMBL8745768 0.93 NQO1 (0.44) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745770 0.83 ALDH1A1 (0.57) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745789 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ARXFP1
SCHEMBL8807846 0.81 ACHE (0.48) NQO1MAPTKDM4EMEN1KMT2A
SCHEMBL8745776 0.80 NQO1 (0.59) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745793 0.80 NQO1 (0.56) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745811 0.80 ALDH1A1 (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8745792 0.80 NQO1 (0.47) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL9080519 0.77 NQO1 (0.58) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8807713 0.76 ALDH1A1 (0.48) NQO1POLBMAPTALDH1A2ALDH1A1

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