SCHEMBL7956565

SCHEMBL7956565

O=C(O)Cc1cccc2c(CCOC3CCCCO3)c(CCO)oc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TBXA2R P21731 6/20 0.39
PTGIR P43119 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.34
STING1 Q86WV6 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
KCNA5 P22460 1/20 0.32
SCN5A Q14524 1/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL7963138 0.85 TBXA2R (0.56) MEN1KMT2AKDM4CTBXA2RPTGIR
SCHEMBL7958632 0.74 TBXA2R (0.44) MEN1KMT2AKDM4CTBXA2RPTGIR
SCHEMBL7959853 0.69 TBXA2R (0.40) MEN1KMT2AKDM4CTBXA2RPTGIR
SCHEMBL27516798 0.68 KDM4C (0.60) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9084486 0.67 KDM4C (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL4991401 0.67 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7948790 0.66 SMN1; SMN2 (0.41) MEN1KMT2ATBXA2RPTGIR
SCHEMBL7221504 0.66 HPGD (0.44) MEN1KMT2A
SCHEMBL10974334 0.65 KDM4C (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11636149 0.65 MEN1 (0.58) MEN1KMT2AKDM4CADORA3EP300

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed