SCHEMBL7737346

SCHEMBL7737346

CC(SCCN1C(=O)COc2c(OCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.49
TBXA2R P21731 6/20 0.49
ALDH1A1 P00352 3/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 0.83 TBXA2R (0.48) PTGIRTBXA2RALDH1A1DRD2POLB
SCHEMBL7739735 0.82 HTR1A (0.39) PTGIRTBXA2RALDH1A1MEN1KMT2A
SCHEMBL7730002 0.82 PTGIR (0.55) PTGIRTBXA2RALDH1A1POLBTSHR
SCHEMBL7737236 0.82 TBXA2R (0.48) PTGIRTBXA2RALDH1A1DRD2POLB
SCHEMBL7736555 0.81 PTGIR (0.47) PTGIRTBXA2RALDH1A1DRD2HTR2A
SCHEMBL7737834 0.81 PTGIR (0.43) PTGIRALDH1A1DRD2HTR2AMCHR1
SCHEMBL7737686 0.79 ALDH1A1 (0.39) PTGIRTBXA2RALDH1A1MEN1KMT2A
SCHEMBL7739724 0.79 PTGIR (0.54) PTGIRTBXA2RKMT2APOLBTSHR
SCHEMBL7737492 0.76 PTGIR (0.51) PTGIRTBXA2RALDH1A1TSHRSMN1; SMN2
SCHEMBL7730063 0.74 PTGIR (0.55) PTGIRTBXA2RALDH1A1POLBTSHR

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