SCHEMBL7361669

SCHEMBL7361669

Cc1ccc(CCC(C(=O)O)C2CC2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PTGFR P43088 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FFAR1 O14842 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
GRM5 P41594 1/20 0.37
PMP22 Q01453 1/20 0.37
GRM1 Q13255 1/20 0.37
GRM2 Q14416 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
SCHEMBL7401586 0.87 SLC7A5 (0.38) CA2ALDH1A1CYP2C9CYP2C19GRM8
SCHEMBL7396689 0.86 KMT2A (0.37) ALDH1A1FFAR1CYP2C9CYP2C19GRM8
SCHEMBL7366774 0.86 GRM2 (0.48) SMN1; SMN2PTGFRFFAR1GRM2GRM3
SCHEMBL7399248 0.86 HSD17B10 (0.45) ALDH1A1S1PR5CYP2C9CYP2C19GRM8
SCHEMBL7364664 0.86 RARB (0.38) ALDH1A1CYP2C9CYP2C19GRM8GRM6
SCHEMBL7360786 0.85 LDHA (0.47) SMN1; SMN2PTGFRALDH1A1FFAR1CYP2C19
SCHEMBL7400111 0.84 GRM2 (0.52) ALDH1A1FFAR1GRM2GRM3KDM4E
SCHEMBL7367030 0.81 PTGER1 (0.42) PTGFRALDH1A1S1PR1S1PR5FFAR1
SCHEMBL7360104 0.79 CYP1A2 (0.46) SLC1A2
SCHEMBL7367342 0.78 GRM2 (0.51) CYP2C9CYP2C19GRM8GRM6LMNA

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