SCHEMBL8745803

SCHEMBL8745803

COc1cc2oc(=O)c(CCN3CCC(c4ccccc4)CC3)c(C)c2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
DRD3 P35462 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 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
SCHEMBL8745802 0.87 ABCC1 (0.51) APPALDH1A1MAOAMAOBPOLB
SCHEMBL8745779 0.85 NPSR1 (0.50) APPALDH1A1TSHRPPARGNCOA2
SCHEMBL8745783 0.81 APP (0.43) APPMAOAMAOBPOLBGAA
SCHEMBL8808439 0.76 EGFR (0.50) APPDRD3MAOAMAOB
SCHEMBL8808991 0.73 EGFR (0.52) APPDRD3MAOAMAOB
SCHEMBL8745791 0.73 ALDH1A1 (0.61) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL8745755 0.72 ABCC1 (0.59) APPALDH1A1DRD3GAA
SCHEMBL8745759 0.70 DRD2 (0.59) APPSMN1; SMN2HTTDRD3
SCHEMBL8745788 0.69 ABCC1 (0.56) GAA
SCHEMBL8745807 0.69 ABCC1 (0.49) ALDH1A1DRD3GAA

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