SCHEMBL4990245

SCHEMBL4990245

CCCCOc1ccc(C(=O)CC(N)c2cccc(-c3ccc(CCC(=O)O)cc3OCCCC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 3/20 0.42
RXRA P19793 1/20 0.40
PTPN11 Q06124 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL4990240 0.80 FFAR1 (0.48) FFAR1PPARGPPARDPPARALMNA
SCHEMBL4971306 0.77 FFAR1 (0.48) FFAR1PPARGPPARDPPARALMNA
SCHEMBL4968623 0.74 FFAR1 (0.47) FFAR1PPARDFFAR4RXRAPTPN11
SCHEMBL4970090 0.72 FFAR1 (0.49) FFAR1PPARDFFAR4RXRA
SCHEMBL4970323 0.71 FFAR1 (0.48) FFAR1PPARGPPARDFFAR4RXRA
SCHEMBL18778780 0.71 L3MBTL1 (0.51) LMNAL3MBTL1PLA2G4B
SCHEMBL4968734 0.71 FFAR1 (0.47) FFAR1FFAR4RXRAPTPN11
SCHEMBL4969469 0.70 RXRA (0.47) FFAR1FFAR4RXRAPTPN11
SCHEMBL4967940 0.70 RXRA (0.47) FFAR1FFAR4RXRAPTPN11
SCHEMBL4969994 0.70 RXRA (0.47) FFAR1FFAR4RXRAPTPN11

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-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP disclosed