SCHEMBL7737347

SCHEMBL7737347

O=C(O)COc1cccc2c1OCCN2CCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.57
TBXA2R P21731 7/20 0.48
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7737456 0.94 PTGIR (0.51) PTGIRTBXA2RCYSLTR2CYSLTR1PTGDR2
SCHEMBL7737670 0.94 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1PTGDR2
SCHEMBL7737194 0.87 PTGIR (0.56) PTGIRTBXA2RCYSLTR2CYSLTR1PTGDR2
SCHEMBL7729950 0.84 PTGIR (0.58) PTGIRTBXA2RCYSLTR2CYSLTR1PTGDR2
SCHEMBL7737250 0.83 PTGIR (0.46) PTGIRTBXA2RPTGDR2
SCHEMBL7730032 0.83 PTGIR (0.58) PTGIRTBXA2RCYSLTR2CYSLTR1PTGDR2
SCHEMBL7736944 0.83 PTGIR (0.60) PTGIRCYSLTR2CYSLTR1
SCHEMBL7958526 0.82 PTGIR (0.48) PTGIRTBXA2R
SCHEMBL7737108 0.82 PTGIR (0.57) PTGIRTBXA2RCYSLTR2CYSLTR1PTGDR2
SCHEMBL7736507 0.82 PTGIR (0.63) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed