SCHEMBL7963259

SCHEMBL7963259

CCC(=O)Oc1cccc2c(CCSC(c3ccccc3)c3cccs3)coc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.59
TBXA2R P21731 8/20 0.59
PSMB5 P28074 4/20 0.34
PSMB8 P28062 1/20 0.34
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
PAX8 Q06710 1/20 0.32
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL7963256 0.87 PTGIR (0.67) PTGIRTBXA2RPSMB5PSMB8KMT2A
SCHEMBL7962535 0.86 PTGIR (0.80) PTGIRTBXA2RPSMB5PSMB8HPGD
SCHEMBL7958505 0.75 PTGIR (1.00) PTGIRTBXA2RPSMB5PSMB8HPGD
SCHEMBL7962878 0.69 PTGIR (1.00) PTGIRTBXA2RPSMB5PSMB8HPGD
SCHEMBL7948621 0.69 PTGIR (0.86) PTGIRTBXA2RPSMB5PSMB8HPGD
SCHEMBL7958040 0.69 PTGIR (0.86) PTGIRTBXA2RHPGDKDM4E
SCHEMBL7958576 0.69 PTGIR (0.81) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7956621 0.68 PTGIR (0.85) PTGIRTBXA2RMAPTHPGDKDM4E
SCHEMBL7959451 0.65 PTGIR (1.00) PTGIRTBXA2RPSMB5PSMB8HPGD
SCHEMBL7958337 0.64 PTGIR (1.00) PTGIRTBXA2RPSMB5PSMB8HPGD

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