SCHEMBL4333170

SCHEMBL4333170

COC(=O)N(CCc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.44
PPARG P37231 6/20 0.40
ALOX5 P09917 2/20 0.39
ACACB O00763 1/20 0.39
F2RL1 P55085 1/20 0.38
PPARD Q03181 3/20 0.38
ALDH1A1 P00352 1/20 0.38
FABP2 P12104 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ADRB3 P13945 3/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37

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
SCHEMBL1578348 0.77 PPARA (0.42) PPARAPPARGACACBPPARDADRB3
SCHEMBL31407623 0.73 PPARA (0.44) PPARAPPARGALOX5PPARDADRB3
SCHEMBL4328328 0.72 CALM1 (0.46) ALDH1A1KDM4EADRB3
SCHEMBL2789562 0.72 FFAR1 (0.59) PPARA
SCHEMBL3052267 0.72 HRH3 (0.59) PPARA
SCHEMBL16789553 0.70 ALOX5 (0.55) ALOX5ALDH1A1LPAR1LPAR5
SCHEMBL23474931 0.69 SLC6A4 (0.51) PPARA
SCHEMBL10389748 0.69 ALDH1A1 (0.53) PPARAPPARGACACBF2RL1ALDH1A1
SCHEMBL7502088 0.69 CYP4F2 (0.56) PPARAPPARGACACBALDH1A1SMN1; SMN2
SCHEMBL482856 0.69 PPARA (0.51) PPARAPPARGACACBALDH1A1KDM4E

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed