SCHEMBL8745787

SCHEMBL8745787

CCOc1ccc2c(C)c(CCO)c(=O)oc2c1OCC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.71
KDM4E B2RXH2 14/20 0.71
HPGD P15428 8/20 0.62
HSD17B10 Q99714 8/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL8745780 0.89 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8745790 0.82 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL703412 0.74 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8745810 0.73 ADRA1A (0.52) ALDH1A1KDM4EKMT2A
SCHEMBL8745765 0.73 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL23665718 0.73 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8745814 0.72 NQO1 (0.52) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL23665719 0.71 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL12986404 0.71 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL12987096 0.71 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10TSHR

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