SCHEMBL8745807

SCHEMBL8745807

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 3/20 0.49
TP53 P04637 1/20 0.49
CCR4 P51679 2/20 0.48
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
ABCB1 P08183 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 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
SCHEMBL8745755 0.83 ABCC1 (0.59) ABCC1TP53CCR4ALDH1A1MEN1
SCHEMBL8745802 0.82 ABCC1 (0.51) ABCC1TP53CCR4ALDH1A1MEN1
SCHEMBL8745788 0.81 ABCC1 (0.56) ABCC1TP53CCR4GAADRD2
SCHEMBL8745757 0.80 ABCC1 (0.54) ABCC1TP53CCR4ALDH1A1MEN1
SCHEMBL8745799 0.80 ABCC1 (0.55) ABCC1TP53CCR4ALDH1A1MEN1
SCHEMBL8745761 0.79 ABCC1 (0.54) ABCC1TP53CCR4ALDH1A1LMNA
SCHEMBL8745763 0.77 ADRA1A (0.55) ABCC1TP53CCR4DRD2
SCHEMBL8745772 0.74 CCR4 (0.51) ABCC1CCR4KDM4ESIGMAR1ABCB1
SCHEMBL8745805 0.74 ALDH1A1 (0.61) TP53CCR4ALDH1A1MEN1KMT2A
SCHEMBL8745812 0.72 ALDH1A1 (0.67) TP53CCR4ALDH1A1MEN1KMT2A

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