SCHEMBL8809207

SCHEMBL8809207

COc1cc2oc(=O)c3c(c2cc1OCCCCl)CCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
KDM4E B2RXH2 10/20 0.60
HSD17B10 Q99714 8/20 0.60
HPGD P15428 7/20 0.60
TSHR P16473 5/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
DRD4 P21917 1/20 0.49
FHIT P49789 2/20 0.47
MAPK1 P28482 2/20 0.46
ALDH1A2 O94788 1/20 0.46
ALDH2 P05091 1/20 0.46

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
SCHEMBL8806711 0.89 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8807035 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8806057 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8806039 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8807799 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4708693 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8806686 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8807672 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4711136 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8806535 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDTSHR

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-0584091-B1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1997-01-15 EP disclosed
US-5428038-A Administering for preventing or treating N-methyl-D-aspartate induced convulsions DR. WILLMAR SCHWABE GMBH & CO. (DE) 1995-06-27 US disclosed
EP-0584091-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF. SCHWABE WILLMAR GMBH & CO (DE) 1994-03-02 EP disclosed
WO-1992018493-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1992-10-29 WO disclosed