SCHEMBL6511036

SCHEMBL6511036

CCCCCCc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PLK1 P53350 1/20 0.39
S1PR1 P21453 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GPX4 P36969 1/20 0.39
PAX8 Q06710 1/20 0.39
S1PR3 Q99500 2/20 0.38
S1PR2 O95136 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6511699 0.99 FFAR1 (0.43) PPARAPPARGFFAR1FFAR4PLK1
SCHEMBL6511174 0.96 FFAR1 (0.43) PPARAPPARGFFAR1FFAR4S1PR1
SCHEMBL6531857 0.90 PPARA (0.42) PPARAPPARGPLK1S1PR1RAB9A
SCHEMBL6510672 0.89 RAB9A (0.42) PPARAPPARGPLK1S1PR1RAB9A
SCHEMBL6510841 0.88 PPARA (0.48) PPARAPPARGS1PR1S1PR3S1PR2
SCHEMBL6509250 0.87 CSF1R (0.39) PPARAPPARGFFAR4NPC1RAB9A
SCHEMBL6509334 0.87 PPARA (0.46) PPARAPPARGFFAR4S1PR1NPC1
SCHEMBL6509333 0.86 FFAR1 (0.46) PPARGFFAR1FFAR4PLK1S1PR1
SCHEMBL6510860 0.85 RAB9A (0.41) PPARAPPARGFFAR1FFAR4NPC1
SCHEMBL6510695 0.84 FFAR1 (0.43) FFAR1FFAR4

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