SCHEMBL7364857

SCHEMBL7364857

O=C(O)c1cccc(CCC(C(=O)O)C2CC2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.52
GRM3 Q14832 1/20 0.52
FOLH1 Q04609 8/20 0.44
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
AMPD3 Q01432 1/20 0.39
KDM1A O60341 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL7400111 0.85 GRM2 (0.52) GRM2GRM3
SCHEMBL7365726 0.85 GRK2 (0.40) GRM2GRM3KDM1A
SCHEMBL7364664 0.84 RARB (0.38) GRM2GRM3FOLH1CYP2C9
SCHEMBL7362960 0.81 GRM2 (0.55) GRM2GRM3
SCHEMBL7360104 0.80 CYP1A2 (0.46)
SCHEMBL7401586 0.77 SLC7A5 (0.38) GRM2GRM3CYP2C9ANPEPENPEP
SCHEMBL7396689 0.76 KMT2A (0.37) GRM2GRM3CYP2C9
SCHEMBL7399248 0.76 HSD17B10 (0.45) GRM2GRM3CYP2C9
SCHEMBL7361669 0.76 SMN1; SMN2 (0.42) GRM2GRM3CYP2C9
SCHEMBL7366774 0.76 GRM2 (0.48) GRM2GRM3

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