SCHEMBL9296142

SCHEMBL9296142

NC(N)(CC(O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
AOC3 Q16853 5/20 0.46
LMNA P02545 3/20 0.45
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RIPK1 Q13546 1/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL9296069 0.85 TAAR1 (0.50) KDM4ESMN1; SMN2HIF1A
SCHEMBL8998258 0.85 BCAT2 (0.49) BCAT2AOC3LMNAGRM2GRM3
SCHEMBL9296581 0.84 AOC3 (0.45) AOC3KDM4E
SCHEMBL15006719 0.77 RIPK1 (0.52) BCAT2AOC3LMNAKDM4EL3MBTL1
SCHEMBL3746491 0.76 RIPK1 (0.55) BCAT2AOC3LMNAKDM4EL3MBTL1
SCHEMBL8027464 0.76 RIPK1 (0.55) BCAT2AOC3LMNAKDM4EL3MBTL1
SCHEMBL13507144 0.74 KDM4E (0.60) BCAT2AOC3LMNAKDM4EL3MBTL1
SCHEMBL15958712 0.74 AOC3 (0.47) BCAT2AOC3LMNAKDM4EL3MBTL1
SCHEMBL5163930 0.71 RIPK1 (0.64) AOC3LMNAKDM4EL3MBTL1RIPK1
SCHEMBL12435669 0.71 RIPK1 (0.64) AOC3LMNAKDM4EL3MBTL1RIPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581907-A4 1994-04-06 EP disclosed