SCHEMBL7737236

SCHEMBL7737236

CC(SCCN1C(=O)CCCc2c(OCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.48
PTGIR P43119 4/20 0.48
PPARD Q03181 6/20 0.41
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL7737376 0.95 TBXA2R (0.48) TBXA2RPTGIRPPARDDRD2DRD3
SCHEMBL7730171 0.85 PTGIR (0.48) TBXA2RPTGIRPPARDPPARAPPARG
SCHEMBL7730044 0.85 PTGIR (0.48) TBXA2RPTGIRPPARDPPARAPPARG
SCHEMBL7737346 0.82 PTGIR (0.49) TBXA2RPTGIRDRD2ALDH1A1L3MBTL1
SCHEMBL7729838 0.82 PTGIR (0.47) TBXA2RPTGIRPPARDPPARAPPARG
SCHEMBL7737368 0.80 PTGIR (0.46) TBXA2RPTGIRPPARDPPARGL3MBTL1
SCHEMBL7737711 0.78 HRH3 (0.41) TBXA2RPTGIRPPARDPPARAPPARG
SCHEMBL7739681 0.75 PTGIR (0.46) TBXA2RPTGIRLOXL2
SCHEMBL7730180 0.74 HRH3 (0.40) TBXA2RPTGIRPPARDPPARAPPARG
SCHEMBL7736580 0.73 PTGIR (0.48) TBXA2RPTGIRALDH1A1L3MBTL1POLB

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