SCHEMBL7364831

SCHEMBL7364831

O=C(O)CCC(C1CC1C(=O)O)C1C2CCCC1CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
GRM5 P41594 1/20 0.36
PMP22 Q01453 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACE P12821 2/20 0.33
REN P00797 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC1A1 P43005 2/20 0.32

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
SCHEMBL7364580 0.79 ALDH1A1 (0.38) SLC1A2CYP2C19CYP2C9GRM8GRM6
SCHEMBL7443464 0.70 SLC1A2 (0.40) SLC1A2CYP2C19CYP2C9GRM8GRM6
SCHEMBL7397703 0.66 ALDH1A1 (0.46) SLC1A2CYP2C19CYP2C9GRM8GRM6
SCHEMBL7364834 0.66 SLC1A2 (0.40) SLC1A2CYP2C19CYP2C9GRM8GRM6
SCHEMBL9176186 0.63 TET2 (0.42) SLC1A2GRM8GRM6LMNAGRM5
SCHEMBL8740273 0.63 ALDH1A1 (0.47) LMNAMEN1KMT2AACEREN
SCHEMBL20162173 0.61 ALDH1A1 (0.46) LMNAMEN1KMT2AACEREN
SCHEMBL20162171 0.61 ALDH1A1 (0.46) LMNAMEN1KMT2AACEREN
SCHEMBL20162183 0.61 ALDH1A1 (0.46) LMNAMEN1KMT2AACEREN
Adipic Acid SCHEMBL1415023 0.61 LMNA (0.58) LMNAPMP22MEN1KMT2A

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