SCHEMBL6511699

SCHEMBL6511699

CCCCCc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR1 P21453 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
CCKBR P32239 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 1/20 0.38
PLK1 P53350 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
SCHEMBL6511036 0.99 PPARA (0.42) FFAR1FFAR4PPARAPPARGNPC1
SCHEMBL6511174 0.97 FFAR1 (0.43) FFAR1FFAR4PPARAPPARGNPC1
SCHEMBL6510672 0.90 RAB9A (0.42) PPARAPPARGRAB9AS1PR1PLK1
SCHEMBL6531857 0.89 PPARA (0.42) PPARAPPARGRAB9AS1PR1THRB
SCHEMBL6509250 0.88 CSF1R (0.39) FFAR4PPARAPPARGNPC1RAB9A
SCHEMBL6509334 0.88 PPARA (0.46) FFAR4PPARAPPARGNPC1RAB9A
SCHEMBL6509333 0.87 FFAR1 (0.46) FFAR1FFAR4PPARGNPC1RAB9A
SCHEMBL6510841 0.87 PPARA (0.48) PPARAPPARGS1PR1THRB
SCHEMBL6510860 0.86 RAB9A (0.41) FFAR1FFAR4PPARAPPARGNPC1
SCHEMBL6510695 0.85 FFAR1 (0.43) FFAR1FFAR4MAPTKDM4EMAPK1

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