SCHEMBL8745756

SCHEMBL8745756

Cc1c(CCO)c(=O)oc2cc(O)cc(O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 1/20 0.64
GAA P10253 5/20 0.62
CASP1 P29466 4/20 0.62
CASP7 P55210 4/20 0.62
HSD17B10 Q99714 4/20 0.62
HPGD P15428 3/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CLK2 P49760 1/20 0.51
CCR4 P51679 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
CA9 Q16790 1/20 0.49
HSD17B3 P37058 1/20 0.48
NUAK1 O60285 2/20 0.48
IGF1R P08069 2/20 0.48

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
SCHEMBL8745801 0.88 KDM4E (0.64) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL4706717 0.85 KDM4E (0.64) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL6584895 0.82 KDM4E (0.79) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL5085562 0.81 KDM4E (0.72) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL3782322 0.81 CLK2 (0.63) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL3274825 0.80 KDM4E (0.78) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL27948295 0.79 CCR4 (0.63) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL3786044 0.78 KDM4E (1.00) KDM4EALDH1A1MAPTGAACASP1
Ocimarin SCHEMBL23752453 0.77 HSD17B3 (0.79) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL6583766 0.76 KDM4E (0.77) KDM4EALDH1A1MAPTGAACASP1

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