SCHEMBL7397703

SCHEMBL7397703

O=C(O)CC(C1CCCCC1)C1CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SLC1A2 P43004 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
APEX1 P27695 1/20 0.39
GRM5 P41594 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM4 Q14833 1/20 0.39
TP53 P04637 2/20 0.36
MITF O75030 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7443464 0.95 SLC1A2 (0.40) ALDH1A1SLC1A2LMNAMEN1KMT2A
SCHEMBL7364580 0.83 ALDH1A1 (0.38) ALDH1A1SLC1A2LMNAMEN1KMT2A
SCHEMBL7581255 0.81 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4728813 0.79 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL21245055 0.75 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL7494619 0.73 EPHX1 (0.45) ALDH1A1SLC1A2LMNAMEN1KMT2A
SCHEMBL7486399 0.71 SLC1A2 (0.44) ALDH1A1SLC1A2LMNAMEN1KMT2A
SCHEMBL9180285 0.70 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL28480892 0.69 ALDH1A1 (0.77) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL14896515 0.68 SLC1A2 (0.55) ALDH1A1SLC1A2LMNAMEN1KMT2A

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