SCHEMBL8745802

SCHEMBL8745802

COc1cc(OC)c2c(C)c(CCN3CCC(c4ccccc4)CC3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.51
APP P05067 1/20 0.49
CCR4 P51679 1/20 0.49
TP53 P04637 1/20 0.48
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
DRD2 P14416 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.41

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
SCHEMBL8745803 0.87 APP (0.45) APPMAOAMAOBALDH1A1GAA
SCHEMBL8745755 0.85 ABCC1 (0.59) ABCC1APPCCR4TP53ALDH1A1
SCHEMBL8745788 0.82 ABCC1 (0.56) ABCC1CCR4TP53GAADRD2
SCHEMBL8745807 0.82 ABCC1 (0.49) ABCC1CCR4TP53ALDH1A1GAA
SCHEMBL8745799 0.81 ABCC1 (0.55) ABCC1CCR4TP53ALDH1A1GAA
SCHEMBL8745761 0.80 ABCC1 (0.54) ABCC1CCR4TP53ALDH1A1KDM4E
SCHEMBL8745757 0.80 ABCC1 (0.54) ABCC1CCR4TP53ALDH1A1GAA
SCHEMBL8745783 0.79 APP (0.43) APPMAOAMAOBGAAACHE
SCHEMBL8745763 0.79 ADRA1A (0.55) ABCC1CCR4TP53DRD2
SCHEMBL8745772 0.76 CCR4 (0.51) ABCC1CCR4KDM4EABCB1

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