SCHEMBL7739697

SCHEMBL7739697

CC(c1ccccc1)(c1ccccc1)[S+]([O-])CCN1CCOc2c(OCC(=O)O)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.54
TBXA2R P21731 7/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 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
SCHEMBL7737334 0.82 HRH3 (0.40) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7736529 0.82 PTGIR (0.56) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7730030 0.82 PTGIR (0.56) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7736503 0.81 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7737666 0.81 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7739676 0.81 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7730063 0.81 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7730002 0.81 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E
SCHEMBL7739724 0.80 PTGIR (0.54) PTGIRTBXA2RCYSLTR2CYSLTR1L3MBTL1
SCHEMBL7730025 0.80 PTGIR (0.54) PTGIRTBXA2RCYSLTR2CYSLTR1KDM4E

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