SCHEMBL27519085

SCHEMBL27519085

CC(C)CC(=O)N(O)NC(=O)Nc1ccc(CN)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.41
KLK1 P06870 4/20 0.41
KLK6 Q92876 4/20 0.41
PTPN1 P18031 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KLKB1 P03952 5/20 0.39
LMNA P02545 1/20 0.38
GHSR Q92847 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
EPHX2 P34913 1/20 0.37
F9 P00740 1/20 0.37

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
SCHEMBL7411164 0.85 NPC1 (0.45) PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL8103183 0.75 NPC1 (0.44) RAB9ANPC1SMN1; SMN2
SCHEMBL8919908 0.71 ALDH1A1 (0.58) PLGKLK1KLK6RAB9ANPC1
SCHEMBL2642980 0.70 CA12 (0.57) PLGKLK1KLK6RAB9ASMN1; SMN2
SCHEMBL17975956 0.68 GHSR (0.53) PLGKLK1KLK6RAB9ANPC1
SCHEMBL545945 0.68 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2LMNAEPHX2
SCHEMBL17976392 0.68 ABAT (0.61) PLGKLK1KLK6RAB9AKLKB1
SCHEMBL8536693 0.68 SMN1; SMN2 (0.51) PLGKLK1KLK6SMN1; SMN2LMNA
SCHEMBL1146000 0.67 SMN1; SMN2 (0.59) PTPN1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4165246 0.66 MEN1 (0.67) RAB9ANPC1SMN1; SMN2LMNA

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
CN-1265647-A Acyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 2000-09-06 CN disclosed