SCHEMBL7105134

SCHEMBL7105134

O=C(O)COc1cccc(C=CCOC(=O)N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.46
ACMSD Q8TDX5 1/20 0.46
MAOB P27338 2/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTPN7 P35236 1/20 0.44
ALOX15 P16050 1/20 0.43
PTGIR P43119 2/20 0.43
PTGDR Q13258 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
ALOX5 P09917 1/20 0.42
ALOX5AP P20292 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7105126 1.00 EPOR (0.46) EPORACMSDMAOBPPARGPPARA
SCHEMBL7112433 1.00 EPOR (0.46) EPORACMSDMAOBPPARGPPARA
SCHEMBL7111880 0.89 EPOR (0.45) EPORACMSDMAOBPPARGPPARA
SCHEMBL7111874 0.89 EPOR (0.45) EPORACMSDMAOBPPARGPPARA
SCHEMBL7109789 0.89 EPOR (0.45) EPORACMSDMAOBPPARGPPARA
SCHEMBL7657096 0.87 PPARA (0.50) EPORMAOBPPARGPPARANPC1
SCHEMBL7111045 0.87 PPARA (0.50) EPORMAOBPPARGPPARANPC1
SCHEMBL7105739 0.86 EPOR (0.43) EPORMAOBPPARGPPARANPC1
SCHEMBL7105741 0.86 EPOR (0.43) EPORMAOBPPARGPPARANPC1
SCHEMBL7109134 0.86 KDM4E (0.44) EPORACMSDPPARGPPARANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP claimed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US claimed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP claimed
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed