SCHEMBL1702272

SCHEMBL1702272

CCc1cc(OC)ccc1C[C@H](NN[C@@H](Cc1ccccc1NC(Cc1ccc(-c2ccc(OC)cc2CC)cc1)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.47
KEAP1 Q14145 1/20 0.44
PPARA Q07869 2/20 0.43
PTGDR Q13258 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
MMP3 P08254 2/20 0.41
MMP1 P03956 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
SCHEMBL3156701 0.83 ALDH1A1 (0.54) PPARGKEAP1PPARAALDH1A1ALOX15
SCHEMBL428265 0.83 ALDH1A1 (0.54) PPARGKEAP1PPARAALDH1A1ALOX15
SCHEMBL1702385 0.79 FPR2 (0.55) PPARGPPARAALDH1A1ALOX15MMP3
SCHEMBL14601306 0.73 LDHA (0.49) PPARGPPARAMMP3
SCHEMBL12568266 0.73 PTPN1 (0.55) PPARGPPARAALDH1A1ALOX15ITGB1
SCHEMBL15219934 0.73 KDM4E (0.42) PPARGPPARAITGB1ITGA4MMP3
SCHEMBL8222429 0.73 KDM4E (0.42) PPARGPPARAITGB1ITGA4MMP3
SCHEMBL30040624 0.72 TPH1 (0.54) PPARGPPARA
SCHEMBL429637 0.72 TPH1 (0.54) PPARGPPARA
SCHEMBL2000467 0.72 TPH1 (0.54) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231701-B1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2012-04-18 EP disclosed