SCHEMBL7364859

SCHEMBL7364859

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
MEP1B Q16820 2/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
APEX1 P27695 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
GRM4 Q14833 1/20 0.37
CASR P41180 1/20 0.36
GRIK2 Q13002 1/20 0.35
FOLH1 Q04609 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
AKR1C3 P42330 1/20 0.34
KMO O15229 1/20 0.34

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
SCHEMBL7364668 0.85 ANPEP (0.37) ANPEPGRM2GRM3APEX1ALDH1A1
SCHEMBL7400114 0.85 SLC6A9 (0.41) GRM2GRM3ALDH1A1CYP1A2GRIK2
SCHEMBL7365727 0.85 SLC6A9 (0.41) GRM2GRM3ALDH1A1CYP1A2
SCHEMBL7362964 0.81 FFAR1 (0.45) GRM2GRM3
SCHEMBL7401588 0.78 NAALAD2 (0.42) GRM2GRM3APEX1ALDH1A1CYP1A2
SCHEMBL7366777 0.77 HSD11B1 (0.42) GRM2GRM3ALDH1A1CYP1A2FOLH1
SCHEMBL7399249 0.77 GABBR2 (0.39) CYP1A2
SCHEMBL7396691 0.77 TSHR (0.36) GRM2GRM3APEX1ALDH1A1CYP1A2
SCHEMBL7361675 0.77 CA1 (0.41) ALDH1A1CYP1A2GRIK2CA1CA2
SCHEMBL7367347 0.74 GRM2 (0.37) GRM2GRM3APEX1ALDH1A1CYP1A2

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