SCHEMBL6516293

SCHEMBL6516293

CCC(C)COc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
FFAR1 O14842 4/20 0.40
FFAR4 Q5NUL3 1/20 0.39
P2RX3 P56373 1/20 0.38
PTGES O14684 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MEP1B Q16820 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 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
SCHEMBL6511170 0.92 FFAR1 (0.40) NR1H2NR1H3FFAR1FFAR4MEP1B
SCHEMBL6511974 0.91 NR1H3 (0.41) NR1H2NR1H3FFAR1PTGESMEN1
SCHEMBL6511846 0.89 FFAR1 (0.44) FFAR1PTGESMEN1KMT2AMEP1B
SCHEMBL6512310 0.84 PTGES (0.43) NR1H2NR1H3FFAR1PTGESMEP1B
SCHEMBL6510780 0.84 TSHR (0.49) FFAR1FFAR4PTGESKDM4EMAPT
SCHEMBL6507826 0.84 FOS (0.43) NR1H2NR1H3FFAR1PTGESMEP1B
SCHEMBL6510769 0.82 PTGES (0.38) FFAR1PTGESMEN1KMT2AMEP1B
SCHEMBL6509451 0.82 NR1H3 (0.41) NR1H3FFAR1MEP1B
SCHEMBL6511022 0.81 SLC2A1 (0.44) FFAR1FFAR4
SCHEMBL6512685 0.80 FFAR1 (0.43) FFAR1PTGESMEN1KMT2AMEP1B

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