SCHEMBL6515110

SCHEMBL6515110

COCCOc1cccc(CN(CCC(=O)O)Cc2cccc(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
MEP1B Q16820 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
NR1H3 Q13133 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
FFAR1 O14842 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6516580 0.89 CYP2D6 (0.50) HPGDPPARGPPARAMEP1BKDM4E
SCHEMBL6515065 0.83 TSHR (0.55) PPARGPPARAFFAR1
SCHEMBL6509563 0.83 CALM1 (0.51) HPGDMEP1BKDM4EALDH1A1FFAR1
SCHEMBL6512685 0.82 FFAR1 (0.43) HPGDMEP1BFFAR1MEN1KMT2A
SCHEMBL6509273 0.82 MEP1B (0.53) MEP1BKDM4ENR1H3ALDH1A1FFAR1
SCHEMBL6511831 0.81 FFAR1 (0.57) PPARGPPARAMEP1BFFAR1
SCHEMBL6511846 0.81 FFAR1 (0.44) HPGDMEP1BKDM4EMAPK1FFAR1
SCHEMBL6509243 0.81 SLC2A1 (0.48) PPARGPPARAALDH1A1FFAR1MEN1
SCHEMBL6508226 0.81 CETP (0.52) MEP1BFFAR1
SCHEMBL6515378 0.80 FFAR1 (0.52) PPARGPPARAMEP1BFFAR1

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