SCHEMBL4602203

SCHEMBL4602203

NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 1/20 0.66
NPSR1 Q6W5P4 2/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
PABPC1 P11940 1/20 0.56
CHRNA7 P36544 1/20 0.54
HTR3A P46098 1/20 0.54
SPHK1 Q9NYA1 2/20 0.53
SPHK2 Q9NRA0 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49
DPP4 P27487 1/20 0.48

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
SCHEMBL28617751 0.96 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL28613806 0.91 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL2747664 0.88 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL1697463 0.88 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL5259296 0.88 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL1697444 0.85 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL11196778 0.81 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL28893940 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL7429992 0.80 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL809457 0.79 PREP (0.64) SMN1; SMN2KDM4ENPSR1L3MBTL1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912662-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007016364-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-08 WO disclosed