SCHEMBL7111880

SCHEMBL7111880

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.45
▸ MAOB P27338 2/20 0.44
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ PTGIR P43119 4/20 0.43
▸ PTGDR Q13258 3/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ ACMSD Q8TDX5 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7109789 1.00 EPOR (0.45) EPORMAOBPPARGPPARAPTGIR
SCHEMBL7111874 1.00 EPOR (0.45) EPORMAOBPPARGPPARAPTGIR
Tert-Butylamine SCHEMBL7654188 0.94 PPARG (0.42) EPORMAOBPPARGPPARAPTGIR
Tert-Butylamine SCHEMBL7108542 0.94 PPARG (0.42) EPORMAOBPPARGPPARAPTGIR
SCHEMBL7105126 0.89 EPOR (0.46) EPORMAOBPPARGPPARAPTGIR
SCHEMBL7112433 0.89 EPOR (0.46) EPORMAOBPPARGPPARAPTGIR
SCHEMBL7105134 0.89 EPOR (0.46) EPORMAOBPPARGPPARAPTGIR
Tert-Butylamine SCHEMBL7109384 0.88 PPARA (0.41) EPORMAOBPPARGPPARAPTGIR
Tert-Butylamine SCHEMBL7660735 0.88 PPARA (0.41) EPORMAOBPPARGPPARAPTGIR
Tert-Butylamine SCHEMBL7105051 0.88 PPARA (0.41) EPORMAOBPPARGPPARAPTGIR

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
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