SCHEMBL7952633

SCHEMBL7952633

c1ccc(C2(COCCc3coc4c(OC5CCCCO5)cccc34)OCO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.33
PTGIR P43119 6/20 0.32
TBXA2R P21731 4/20 0.32

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
SCHEMBL7958407 0.77 KDM4C (0.36) KDM4CPTGIRTBXA2R
SCHEMBL7958339 0.77 PTGIR (0.36) KDM4CPTGIRTBXA2R
SCHEMBL27417368 0.74 PTGIR (0.32) PTGIRTBXA2R
SCHEMBL7948790 0.74 SMN1; SMN2 (0.41) PTGIRTBXA2R
SCHEMBL30148867 0.64 KDM4C (0.55) KDM4C
SCHEMBL6342508 0.64 KDM4C (0.41) KDM4C
SCHEMBL30788461 0.64 KDM4C (0.41) KDM4C
SCHEMBL11057549 0.64 KDM4C (0.44) KDM4C
SCHEMBL6362992 0.63 KDM4C (0.42) KDM4C
SCHEMBL7527888 0.62 HRH1 (0.47) KDM4C

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 3 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
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed