SCHEMBL8745811

SCHEMBL8745811

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.55
TP53 P04637 3/20 0.49
CCR4 P51679 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
BRD4 O60885 1/20 0.40
ABCB1 P08183 3/20 0.40
MAOA P21397 2/20 0.40
XDH P47989 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL8745789 0.84 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2ATP53
SCHEMBL8745812 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8745805 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8745770 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8745784 0.80 NQO1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8745768 0.74 NQO1 (0.44) ALDH1A1MAPTKMT2A
SCHEMBL15931664 0.72 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8745755 0.70 ABCC1 (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL14685985 0.70 KDM4E (0.44) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30405522 0.70 KDM4E (0.44) ALDH1A1KDM4ELMNAHPGDHSD17B10

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