SCHEMBL8745815

SCHEMBL8745815

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.51
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 4/20 0.46
ALDH1A1 P00352 2/20 0.42
ALDH1A2 O94788 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH1B1 P30837 1/20 0.42
ALDH1A3 P47895 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B3 P37058 1/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 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
SCHEMBL8745776 0.91 NQO1 (0.59) NQO1MAPTKDM4EPOLBALDH1A1
SCHEMBL8745786 0.89 NQO1 (0.49) NQO1MAPTKDM4ENPC1RAB9A
SCHEMBL8745814 0.84 NQO1 (0.52) NQO1MAPTKDM4ENPC1RAB9A
SCHEMBL8745806 0.83 NQO1 (0.52) NQO1MAPTKDM4EPOLBALDH1A1
SCHEMBL9144825 0.82 NQO1 (0.50) NQO1MAPTKDM4ENPC1RAB9A
SCHEMBL8745793 0.78 NQO1 (0.56) NQO1MAPTKDM4ENPC1POLB
SCHEMBL8745760 0.76 ADRA1A (0.55) GAA
SCHEMBL9080519 0.75 NQO1 (0.58) NQO1MAPTKDM4ENPC1POLB
SCHEMBL8745753 0.74 NQO1 (0.61) NQO1MAPTKDM4ENPC1RAB9A
SCHEMBL8745784 0.73 NQO1 (0.50) NQO1MAPTKDM4EPOLBALDH1A1

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