SCHEMBL6518975

SCHEMBL6518975

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
PPARD Q03181 1/20 0.43
NR1H3 Q13133 3/20 0.41
KAT6A Q92794 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
FAAH O00519 1/20 0.39
PTGES O14684 1/20 0.39
CSF3R Q99062 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEP1B Q16820 2/20 0.37
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL6508932 0.92 FFAR1 (0.42) FFAR1PPARDNR1H3KAT6AFOS
SCHEMBL6509514 0.92 NR1H3 (0.40) FFAR1PPARDNR1H3PTGESMEP1B
SCHEMBL6509306 0.91 NR1H3 (0.40) FFAR1NR1H3MEP1B
SCHEMBL6510630 0.89 FFAR1 (0.43) FFAR1PPARDNR1H3KAT6AFOS
SCHEMBL6515031 0.88 MEP1B (0.43) NR1H3HCRTR2MEP1B
SCHEMBL6511147 0.87 TSHR (0.47) FFAR1PTGES
SCHEMBL6531896 0.84 FFAR4 (0.48) FFAR1PPARDKAT6A
SCHEMBL6508931 0.84 CSF3R (0.39) FFAR1CSF3RMEP1B
SCHEMBL6531593 0.84 FFAR4 (0.47) FFAR1PPARDKAT6A
SCHEMBL6507826 0.83 FOS (0.43) FFAR1PPARDNR1H3FOSJUN

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