SCHEMBL6510094

SCHEMBL6510094

CCC(CC)COc1cccc(CN(CCC(=O)O)Cc2cc(C)cs2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
MEP1B Q16820 2/20 0.38
FFAR1 O14842 1/20 0.38
BCHE P06276 3/20 0.38
PTGES O14684 1/20 0.37
SQLE Q14534 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
SCHEMBL6510769 0.91 PTGES (0.38) PPARGPPARAMEP1BFFAR1BCHE
SCHEMBL6512685 0.88 FFAR1 (0.43) MEP1BFFAR1BCHEPTGES
SCHEMBL6511901 0.84 TSHR (0.49) PPARGPPARAFFAR1PTGES
SCHEMBL6533464 0.83 POLB (0.40) PPARGPPARAMEP1BBCHE
SCHEMBL6509451 0.82 NR1H3 (0.41) MEP1BFFAR1BCHE
SCHEMBL6511170 0.82 FFAR1 (0.40) MEP1BFFAR1BCHE
SCHEMBL6509317 0.81 CETP (0.47) MEP1BFFAR1
SCHEMBL6512333 0.81 SLC2A1 (0.45) PPARGPPARAFFAR1
SCHEMBL6509306 0.79 NR1H3 (0.40) MEP1BFFAR1BCHE
SCHEMBL6511846 0.79 FFAR1 (0.44) MEP1BFFAR1BCHEPTGES

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed