SCHEMBL7948777

SCHEMBL7948777

CC(Cc1ccccc1)OCc1coc2c(OCC(=O)O)cccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.58
TBXA2R P21731 7/20 0.58
PSMB5 P28074 5/20 0.48
PSMB8 P28062 4/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL7956720 1.00 PTGIR (0.58) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7958820 1.00 PTGIR (0.58) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7958794 0.91 PTGIR (0.60) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7948664 0.85 PTGIR (0.59) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7948668 0.85 PTGIR (0.59) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7960439 0.85 PTGIR (0.59) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7948745 0.83 PTGIR (0.67) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7956192 0.81 PTGIR (0.59) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7958309 0.80 PTGIR (0.62) PTGIRTBXA2RPSMB5PSMB8KDM4E
SCHEMBL7958306 0.80 PTGIR (0.62) PTGIRTBXA2RPSMB5PSMB8KDM4E

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