SCHEMBL7365727

SCHEMBL7365727

O=C(O)CCC(c1cccc(Br)c1)C1CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.41
CTSA P10619 1/20 0.39
GRK2 P25098 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
F7 P08709 1/20 0.36
ATM Q13315 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
FNTA P49354 1/20 0.33

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
SCHEMBL7396691 0.85 TSHR (0.36) ALDH1A1CYP1A2FFAR1FFAR4LMNA
SCHEMBL7364859 0.85 ANPEP (0.43) ALDH1A1CYP1A2GRM2GRM3
SCHEMBL7400114 0.85 SLC6A9 (0.41) SLC6A9TDP1ALDH1A1CYP1A2FFAR1
SCHEMBL7362964 0.81 FFAR1 (0.45) TDP1L3MBTL1FFAR1LMNAGRM2
SCHEMBL7401588 0.78 NAALAD2 (0.42) ALDH1A1CYP1A2FFAR1LMNAGRM2
SCHEMBL7361675 0.77 CA1 (0.41) SLC6A9L3MBTL1ALDH1A1CYP1A2FFAR1
SCHEMBL7366777 0.77 HSD11B1 (0.42) ALDH1A1CYP1A2GRM2GRM3
SCHEMBL7399249 0.77 GABBR2 (0.39) SLC6A9CYP1A2FFAR1LMNA
SCHEMBL7364668 0.77 ANPEP (0.37) TDP1ALDH1A1CYP1A2FFAR1LMNA
SCHEMBL7367347 0.74 GRM2 (0.37) ALDH1A1CYP1A2LMNAGRM2GRM3

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