SCHEMBL7364580

SCHEMBL7364580

O=C(O)CCC(C1CCCCC1)C1CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.37
SLC1A2 P43004 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
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
GRM3 Q14832 1/20 0.37
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ACE P12821 2/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 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
SCHEMBL7397703 0.83 ALDH1A1 (0.46) ALDH1A1LMNASLC1A2MEN1KMT2A
SCHEMBL8740273 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AACE
SCHEMBL20162171 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AACE
SCHEMBL20162183 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AACE
SCHEMBL20162173 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AACE
SCHEMBL7364831 0.79 SLC1A2 (0.36) LMNASLC1A2MEN1KMT2ACYP2C9
SCHEMBL7443464 0.78 SLC1A2 (0.40) ALDH1A1LMNASLC1A2MEN1KMT2A
SCHEMBL9176186 0.72 TET2 (0.42) LMNASLC1A2GRM8GRM6GRM5
SCHEMBL28468787 0.71 ALDH1A1 (0.55) ALDH1A1LMNASLC1A2GRM8GRM6
SCHEMBL7494619 0.70 EPHX1 (0.45) ALDH1A1LMNASLC1A2MEN1KMT2A

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