SCHEMBL7959352

SCHEMBL7959352

COc1cccc2c(CC(O)CCC(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.51
PSMB8 P28062 1/20 0.51
PTGIR P43119 10/20 0.48
TBXA2R P21731 7/20 0.48
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.37
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL7962695 0.84 PTGIR (0.69) PSMB5PSMB8PTGIRTBXA2RALDH1A1
SCHEMBL7963254 0.80 PTGIR (0.47) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL21836409 0.75 PSMB5 (0.48) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL21836406 0.75 PSMB5 (0.48) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL21836365 0.74 PSMB5 (0.49) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL21836367 0.74 PSMB5 (0.49) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL7958702 0.74 PTGIR (0.69) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL21836303 0.74 PSMB5 (0.47) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL21836305 0.74 PSMB5 (0.47) PSMB5PSMB8PTGIRTBXA2RLMNA
SCHEMBL7963175 0.73 PTGIR (0.48) PSMB5PSMB8PTGIRTBXA2RLMNA

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