SCHEMBL7730171

SCHEMBL7730171

CC(SCCN1CCCc2c(OCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.48
TBXA2R P21731 4/20 0.48
HRH3 Q9Y5N1 2/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 3/20 0.41
ALDH1A1 P00352 3/20 0.38
PPARD Q03181 4/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
POLB P06746 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7730044 0.97 PTGIR (0.48) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7729838 0.94 PTGIR (0.47) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7737711 0.92 HRH3 (0.41) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7730180 0.89 HRH3 (0.40) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7737079 0.87 PTGIR (0.47) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7737236 0.85 TBXA2R (0.48) PTGIRTBXA2RPPARAPPARGALDH1A1
SCHEMBL7739657 0.84 HRH3 (0.45) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7730077 0.83 PPARG (0.44) PTGIRHRH3PPARAPPARGALDH1A1
SCHEMBL7737307 0.82 PTGIR (0.46) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7737376 0.82 TBXA2R (0.48) PTGIRTBXA2RALDH1A1PPARDPOLB

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