SCHEMBL6509181

SCHEMBL6509181

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(CC3CCCCC3)c2)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTC4S Q16873 1/20 0.37
FFAR1 O14842 3/20 0.35
PPARD Q03181 3/20 0.35
NPC1 O15118 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
OPRK1 P41145 4/20 0.34
OPRM1 P35372 3/20 0.34
HTT P42858 1/20 0.33
PPM1D O15297 1/20 0.33
MEP1B Q16820 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 1/20 0.33
OPRD1 P41143 1/20 0.32

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
SCHEMBL6531593 0.87 FFAR4 (0.47) FFAR1PPARDFFAR4
SCHEMBL6531896 0.85 FFAR4 (0.48) LTC4SFFAR1PPARDFFAR4
SCHEMBL6515075 0.85 GAA (0.41) ALDH1A1GAAL3MBTL1NPC1OPRK1
SCHEMBL6513365 0.84 ENPP2 (0.39) FFAR1FFAR4MEP1B
SCHEMBL6508922 0.83 ATM (0.35) ALDH1A1GAAL3MBTL1LTC4SFFAR4
SCHEMBL6518913 0.83 NPC1 (0.50) ALDH1A1GAAL3MBTL1NPC1HTT
SCHEMBL6507818 0.81 KDM4E (0.38) HTTMEP1BKDM4E
SCHEMBL6508931 0.80 CSF3R (0.39) GAAFFAR1OPRK1OPRM1HTT
SCHEMBL6511871 0.80 PPARA (0.39) OPRK1OPRM1KDM4EOPRD1
SCHEMBL6516568 0.79 PPARA (0.41) OPRK1OPRM1OPRD1

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