SCHEMBL6515073

SCHEMBL6515073

CCCCCCOc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.47
MEP1B Q16820 1/20 0.46
CYP2D6 P10635 2/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KCNH2 Q12809 1/20 0.43
NR1H3 Q13133 2/20 0.42

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
SCHEMBL6509314 0.88 MEP1B (0.46) PLA2G4BMEP1BCYP2D6PPARAPPARG
SCHEMBL6531857 0.86 PPARA (0.42) PPARAPPARGTHRATHRB
SCHEMBL6510672 0.85 RAB9A (0.42) PPARAPPARG
SCHEMBL6512693 0.85 TSHR (0.49) PPARAPPARG
SCHEMBL6509451 0.85 NR1H3 (0.41) MEP1BNR1H3
SCHEMBL6516580 0.85 CYP2D6 (0.50) PLA2G4BMEP1BCYP2D6PPARAPPARG
SCHEMBL6510860 0.84 RAB9A (0.41) PPARAPPARG
SCHEMBL6511974 0.84 NR1H3 (0.41) MEP1BNR1H3
SCHEMBL6533747 0.82 ATM (0.36) THRB
SCHEMBL6516543 0.81 FFAR4 (0.49)

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