SCHEMBL7963254

SCHEMBL7963254

COc1cccc2c(COCCC(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.47
TBXA2R P21731 7/20 0.47
PSMB5 P28074 2/20 0.44
PSMB8 P28062 1/20 0.44
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTR1A P08908 1/20 0.37
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAOA P21397 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7958845 0.83 PTGIR (0.69) PTGIRTBXA2RPSMB5PSMB8ALDH1A1
SCHEMBL7956736 0.80 PSMB8 (0.41) PTGIRTBXA2RPSMB5PSMB8LMNA
SCHEMBL7959352 0.80 PSMB5 (0.51) PTGIRTBXA2RPSMB5PSMB8LMNA
SCHEMBL7958702 0.75 PTGIR (0.69) PTGIRTBXA2RPSMB5PSMB8LMNA
SCHEMBL7958890 0.74 PSMB8 (0.43) PTGIRTBXA2RPSMB5PSMB8LMNA
SCHEMBL7962809 0.73 ADORA2A (0.45) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL7956134 0.73 PTGIR (0.73) PTGIRTBXA2RPSMB5PSMB8ALDH1A1
SCHEMBL806348 0.72 ALDH1A1 (0.54) PTGIRTBXA2RPSMB5PSMB8LMNA
SCHEMBL7953106 0.71 ALDH1A1 (0.53) PTGIRTBXA2RPSMB5PSMB8LMNA
SCHEMBL7962995 0.71 ALDH1A1 (0.49) PTGIRTBXA2RPSMB5PSMB8LMNA

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