SCHEMBL7958890

SCHEMBL7958890

COc1cccc2c(CCOCc3ccc(-c4ccccc4)cc3)coc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
HTR1A P08908 3/20 0.39
PTGIR P43119 7/20 0.39
TBXA2R P21731 4/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAAA Q02083 1/20 0.36
SCN9A Q15858 1/20 0.35
RXRA P19793 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
SCHEMBL7956749 0.84 PTGIR (0.57) PSMB8PSMB5PTGIRTBXA2RMEN1
SCHEMBL7956750 0.76 PTGIR (0.61) PSMB8PSMB5PTGIRTBXA2RALDH1A1
SCHEMBL7960429 0.75 DAO (0.40) PSMB8PSMB5PTGIRTBXA2RALDH1A1
SCHEMBL7963254 0.74 PTGIR (0.47) PSMB8PSMB5HTR1APTGIRTBXA2R
SCHEMBL7956736 0.73 PSMB8 (0.41) PSMB8PSMB5HTR1APTGIRTBXA2R
SCHEMBL5234354 0.73 ALDH1A1 (0.46) PSMB8PSMB5HTR1APTGIRTBXA2R
SCHEMBL4130976 0.73 PSMB8 (0.46) PSMB8PSMB5HTR1APTGIRTBXA2R
SCHEMBL5504988 0.73 TAAR1 (0.53) PSMB8PSMB5HTR1APTGIRTBXA2R
SCHEMBL4136821 0.73 MEN1 (0.46) PSMB8PSMB5HTR1APTGIRTBXA2R
SCHEMBL11297234 0.72 HTR2A (0.52) PSMB8PSMB5LMNAKMT2A

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