SCHEMBL7730180

SCHEMBL7730180

CC(CSCCN1CCCc2c(OCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PTGIR P43119 5/20 0.39
TBXA2R P21731 4/20 0.39
ALDH1A1 P00352 3/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PKM P14618 2/20 0.35
PPARD Q03181 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 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
SCHEMBL7730171 0.89 PTGIR (0.48) HRH3PPARGPPARAPTGIRTBXA2R
SCHEMBL7730077 0.87 PPARG (0.44) HRH3PPARGPPARAPTGIRALDH1A1
SCHEMBL7737711 0.87 HRH3 (0.41) HRH3PPARGPPARAPTGIRTBXA2R
SCHEMBL7730044 0.86 PTGIR (0.48) HRH3PPARGPPARAPTGIRTBXA2R
SCHEMBL7729838 0.85 PTGIR (0.47) HRH3PPARGPPARAPTGIRTBXA2R
SCHEMBL7736474 0.83 PPARD (0.44) HRH3PPARGPPARAPTGIRALDH1A1
SCHEMBL7739657 0.82 HRH3 (0.45) HRH3PPARGPPARAPTGIRTBXA2R
SCHEMBL7730025 0.82 PTGIR (0.54) PTGIRTBXA2RALDH1A1POLBSMN1; SMN2
SCHEMBL7737079 0.82 PTGIR (0.47) HRH3PPARGPPARAPTGIRTBXA2R
SCHEMBL7737153 0.82 PTGIR (0.47) HRH3PPARGPPARAPTGIRTBXA2R

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