SCHEMBL8745790

SCHEMBL8745790

COc1ccc2c(C)c(CCO)c(=O)oc2c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
ALDH1A1 P00352 8/20 0.68
POLB P06746 2/20 0.66
HTT P42858 2/20 0.66
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.59
THRB P10828 3/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAOA P21397 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 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
SCHEMBL8745800 0.88 KDM4E (0.69) KDM4EALDH1A1POLBHTTGAA
SCHEMBL8745787 0.82 ALDH1A1 (0.71) KDM4EALDH1A1POLBHTTGAA
SCHEMBL11852795 0.79 KDM4E (0.60) KDM4EALDH1A1POLBHTTGAA
SCHEMBL8745765 0.75 KDM4E (0.65) KDM4EALDH1A1POLBHTTGAA
SCHEMBL8745797 0.74 ALDH1A1 (0.56) KDM4EALDH1A1POLBHTTGAA
SCHEMBL8745776 0.74 NQO1 (0.59) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL11839976 0.73 KDM4E (0.51) KDM4EALDH1A1POLBHTTGAA
SCHEMBL8745753 0.72 NQO1 (0.61) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL11835982 0.72 KDM4E (0.53) KDM4EALDH1A1POLBHTTGAA
SCHEMBL6755853 0.72 KDM4E (0.62) KDM4EALDH1A1POLBHTTGAA

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