SCHEMBL4065908

SCHEMBL4065908

O=C(NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.56
ALDH1A1 P00352 2/20 0.49
KDM1A O60341 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
CYP3A4 P08684 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRK1 P41145 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5905807 0.86 PREP (0.50) PREPALDH1A1KDM1ARCOR1GAA
SCHEMBL4069289 0.82 LMNA (0.49) PREPALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8007264 0.82 PREP (0.53) PREPALDH1A1KDM1ALMNASMN1; SMN2
SCHEMBL8008130 0.79 SYK (0.45) PREPCTSL
SCHEMBL27225229 0.79 ALDH1A1 (0.51) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL22811402 0.79 PREP (0.54) PREPALDH1A1KDM1ALMNASMN1; SMN2
SCHEMBL2084721 0.79 PREP (0.54) PREPALDH1A1KDM1ALMNASMN1; SMN2
SCHEMBL11386013 0.78 PREP (0.76) PREPALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL4051763 0.78 PREP (0.43) PREPCTSLCTSKCYP3A4CTSS
SCHEMBL17293278 0.78 PREP (0.51) PREPALDH1A1KDM1ALMNASMN1; SMN2

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-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed