SCHEMBL7739724

SCHEMBL7739724

CC(SCCCN1CCOc2c(OCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.54
TBXA2R P21731 7/20 0.48
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
MTNR1A P48039 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL7730002 0.94 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL7737492 0.88 PTGIR (0.51) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL7730063 0.87 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL7730030 0.86 PTGIR (0.56) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL7730025 0.85 PTGIR (0.54) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL7729838 0.82 PTGIR (0.47) PTGIRTBXA2RPOLBSMN1; SMN2
SCHEMBL7736488 0.82 PTGIR (0.54) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL7736529 0.82 PTGIR (0.56) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A
SCHEMBL676554 0.82 PTGIR (0.44) PTGIRTBXA2RCYSLTR2CYSLTR1
SCHEMBL7739676 0.81 PTGIR (0.55) PTGIRTBXA2RCYSLTR2CYSLTR1HTR1A

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