SCHEMBL7367783

SCHEMBL7367783

O=C(O)CCC(c1ccc(F)cc1F)C1CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HSD11B1 P28845 2/20 0.35
FFAR4 Q5NUL3 5/20 0.34
FFAR1 O14842 2/20 0.34
MAPK1 P28482 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
TBXA2R P21731 1/20 0.32
OPRM1 P35372 1/20 0.32
DPP4 P27487 1/20 0.32
RBP4 P02753 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 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
SCHEMBL7363863 0.84 CNR2 (0.36) CES2CES1GRM2GRM3
SCHEMBL7366777 0.82 HSD11B1 (0.42) HSD11B1TBXA2RGRM2GRM3
SCHEMBL7361098 0.77 MAPK1 (0.37) FFAR1MAPK1
SCHEMBL7363033 0.76 ALDH1A1 (0.36) FFAR1OPRM1
SCHEMBL7365442 0.72 FFAR4 (0.40) FFAR4FFAR1
SCHEMBL7401588 0.72 NAALAD2 (0.42) FFAR1GRM2GRM3
SCHEMBL7368272 0.72 CYP2C19 (0.41) HTTGRM2GRM3
SCHEMBL7396691 0.71 TSHR (0.36) FFAR4FFAR1GRM2GRM3
SCHEMBL7399249 0.71 GABBR2 (0.39) HTTHSD11B1FFAR1
SCHEMBL7361675 0.71 CA1 (0.41) HSD11B1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed