SCHEMBL7736503

SCHEMBL7736503

O=C(O)COc1cccc2c1OCCN2CC[S+]([O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.55
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
TBXA2R P21731 5/20 0.33
GRM5 P41594 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL7729950 0.82 PTGIR (0.58) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7737097 0.82 PTGIR (0.41) PTGIRALDH1A1
SCHEMBL7736944 0.81 PTGIR (0.60) PTGIRCYSLTR2CYSLTR1SLC6A4
SCHEMBL7739697 0.81 PTGIR (0.54) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7737347 0.80 PTGIR (0.57) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7737108 0.80 PTGIR (0.57) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7736507 0.80 PTGIR (0.63) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7736531 0.80 PTGIR (0.56) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7737194 0.80 PTGIR (0.56) PTGIRCYSLTR2CYSLTR1PTGDR2KDM4E
SCHEMBL7737670 0.79 PTGIR (0.55) 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