SCHEMBL6508932

SCHEMBL6508932

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(OCC(C)C)c2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
PPARD Q03181 1/20 0.42
NR1H3 Q13133 6/20 0.40
NR1H2 P55055 3/20 0.40
KAT6A Q92794 1/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
FAAH O00519 1/20 0.37
PTGES O14684 1/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RXRA P19793 1/20 0.37
VHL P40337 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
CSF3R Q99062 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL6518975 0.92 FFAR1 (0.43) FFAR1PPARDNR1H3KAT6AFOS
SCHEMBL6510630 0.87 FFAR1 (0.43) FFAR1PPARDNR1H3KAT6AFOS
SCHEMBL6509514 0.84 NR1H3 (0.40) FFAR1PPARDNR1H3NR1H2PTGES
SCHEMBL6509306 0.83 NR1H3 (0.40) FFAR1NR1H3
SCHEMBL6515016 0.82 LMNA (0.41) MEN1ALDH1A1MAPTKMT2A
SCHEMBL6507826 0.81 FOS (0.43) FFAR1PPARDNR1H3NR1H2FOS
SCHEMBL6515031 0.80 MEP1B (0.43) NR1H3HCRTR2
SCHEMBL6511147 0.79 TSHR (0.47) FFAR1PTGESPPARGPPARA
SCHEMBL6531896 0.77 FFAR4 (0.48) FFAR1PPARDKAT6A
SCHEMBL6510816 0.76 MEP1B (0.42) FFAR1NR1H3

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