SCHEMBL11738947

SCHEMBL11738947

CC(C)(Oc1ccc(CBr)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.72
PPARA Q07869 12/20 0.72
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
PPARD Q03181 5/20 0.54
TBXAS1 P24557 2/20 0.54
FABP2 P12104 1/20 0.53
SLC22A12 Q96S37 1/20 0.53

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
SCHEMBL4036404 0.95 PPARG (0.66) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL4033331 0.95 PPARA (0.66) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL4036197 0.95 PPARG (0.66) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL4033117 0.91 PPARA (0.60) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL4042833 0.86 PPARA (0.73) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL4036545 0.84 PPARG (0.60) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL9996916 0.84 PPARG (1.00) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL10289687 0.84 PPARG (0.74) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL14122275 0.83 PPARA (0.50) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL5795917 0.82 PPARG (0.72) PPARGPPARAMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532123-A Thiazole-5-methanamide compound and preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2012-07-04 CN disclosed
US-4039683-A PHENOXYPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-08-02 US disclosed
US-3968143-A Phenoxypropionic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-07-06 US disclosed