SCHEMBL7737376

SCHEMBL7737376

CC(SCCN1C(=O)CCc2c(OCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.48
PTGIR P43119 5/20 0.48
LOXL2 Q9Y4K0 2/20 0.39
PPARD Q03181 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL7737236 0.95 TBXA2R (0.48) TBXA2RPTGIRLOXL2PPARDPOLB
SCHEMBL7737346 0.83 PTGIR (0.49) TBXA2RPTGIRPOLBSMN1; SMN2GLA
SCHEMBL7730171 0.82 PTGIR (0.48) TBXA2RPTGIRPPARDPOLBSMN1; SMN2
SCHEMBL7730044 0.82 PTGIR (0.48) TBXA2RPTGIRPPARDALDH1A1
SCHEMBL7739681 0.80 PTGIR (0.46) TBXA2RPTGIRLOXL2
SCHEMBL7729838 0.79 PTGIR (0.47) TBXA2RPTGIRPPARDPOLBSMN1; SMN2
SCHEMBL7737368 0.75 PTGIR (0.46) TBXA2RPTGIRPPARDL3MBTL1
SCHEMBL7737711 0.74 HRH3 (0.41) TBXA2RPTGIRPPARDPOLBSMN1; SMN2
SCHEMBL7736580 0.74 PTGIR (0.48) TBXA2RPTGIRPOLBSMN1; SMN2GLA
SCHEMBL7730002 0.74 PTGIR (0.55) TBXA2RPTGIRPOLBSMN1; SMN2GLA

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