SCHEMBL7401588

SCHEMBL7401588

O=C(O)CCC(c1ccc(O)cc1)C1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
GRM2 Q14416 3/20 0.35
GRM3 Q14832 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
GRM5 P41594 1/20 0.35
PMP22 Q01453 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM4 Q14833 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC1A2 P43004 1/20 0.35
CYP1A1 P04798 1/20 0.35

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 0.87 TSHR (0.36) ALDH1A1CYP1A2GRM2GRM3CYP2C9
SCHEMBL7399249 0.87 GABBR2 (0.39) CYP1A2CYP2C9CYP2C19LMNAMEN1
SCHEMBL7366777 0.87 HSD11B1 (0.42) ALDH1A1CYP1A2GRM2GRM3MEN1
SCHEMBL7364668 0.87 ANPEP (0.37) ALDH1A1CYP1A2GRM2GRM3CYP2C9
SCHEMBL7361675 0.87 CA1 (0.41) ALDH1A1CYP1A2KMT2AFFAR1CA2
SCHEMBL7360789 0.83 PDE4B (0.41) ALDH1A1MEN1KMT2AFFAR1
SCHEMBL7367347 0.80 GRM2 (0.37) ALDH1A1CYP1A2GRM2GRM3CYP2C9
SCHEMBL7365727 0.78 SLC6A9 (0.41) ALDH1A1CYP1A2GRM2GRM3LMNA
SCHEMBL7364859 0.78 ANPEP (0.43) ALDH1A1CYP1A2GRM2GRM3APEX1
SCHEMBL7400114 0.78 SLC6A9 (0.41) ALDH1A1CYP1A2GRM2GRM3LMNA

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