SCHEMBL7737334

SCHEMBL7737334

CC(c1ccccc1)(c1ccccc1)[S+]([O-])CCN1CCCc2c(OCC(=O)O)cccc21

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
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 5/20 0.37
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 2/20 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

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 0.82 HRH3 (0.45) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7739697 0.82 PTGIR (0.54) ALDH1A1POLBKDM4EHPGDTDP1
SCHEMBL7730077 0.82 PPARG (0.44) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7737307 0.81 PTGIR (0.46) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7737230 0.81 HRH3 (0.41) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7730171 0.81 PTGIR (0.48) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7737711 0.81 HRH3 (0.41) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7737097 0.81 PTGIR (0.41) HRH3PRMT5WDR77ALDH1A1PKM
SCHEMBL7729838 0.79 PTGIR (0.47) HRH3PPARGPPARAPRMT5WDR77
SCHEMBL7730180 0.79 HRH3 (0.40) HRH3PPARGPPARAPRMT5WDR77

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