SCHEMBL7737307

SCHEMBL7737307

CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCN1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.46
TBXA2R P21731 1/20 0.46
HRH3 Q9Y5N1 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
BCHE P06276 2/20 0.39
HTR6 P50406 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PKM P14618 2/20 0.36
PPARD Q03181 1/20 0.36
SMN1; SMN2 Q16637 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

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
SCHEMBL7739657 0.84 HRH3 (0.45) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7730077 0.83 PPARG (0.44) PTGIRHRH3PPARGPPARAPRMT5
SCHEMBL7737711 0.82 HRH3 (0.41) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7737230 0.82 HRH3 (0.41) PTGIRHRH3PPARGPPARAPRMT5
SCHEMBL7730171 0.82 PTGIR (0.48) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7737666 0.82 PTGIR (0.55) PTGIRTBXA2RALDH1A1POLBSMN1; SMN2
SCHEMBL7739665 0.81 PTGIR (0.41) PTGIRHRH3PRMT5WDR77ALDH1A1
SCHEMBL7737334 0.81 HRH3 (0.40) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7729838 0.81 PTGIR (0.47) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7730180 0.81 HRH3 (0.40) PTGIRTBXA2RHRH3PPARGPPARA

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