SCHEMBL8745805

SCHEMBL8745805

COc1cc(OC)c2c(C)c(CCO)c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
GAA P10253 4/20 0.61
KDM4E B2RXH2 4/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GLA P06280 1/20 0.61
MAPT P10636 1/20 0.61
TP53 P04637 2/20 0.56
CCR4 P51679 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
BRD4 O60885 1/20 0.49
XDH P47989 1/20 0.46
MAPK1 P28482 1/20 0.45
ABCB1 P08183 2/20 0.44
MAOA P21397 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL8745812 0.88 ALDH1A1 (0.67) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8745795 0.82 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8745811 0.82 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8745791 0.82 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8745773 0.80 ADORA3 (0.47) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8745753 0.77 NQO1 (0.61) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8745776 0.77 NQO1 (0.59) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL15931664 0.77 ALDH1A1 (0.62) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL5114697 0.76 ALDH1A1 (0.64) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8745755 0.74 ABCC1 (0.59) ALDH1A1GAAKDM4EHPGDHSD17B10

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