SCHEMBL9840186

SCHEMBL9840186

CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.51
CYP3A4 P08684 2/20 0.51
RARA P10276 2/20 0.51
MAPK14 Q16539 4/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAOB P27338 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL9375391 0.88 CYP26A1 (0.52) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9376571 0.88 CYP26A1 (0.52) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9380096 0.88 LMNA (0.51) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9375261 0.87 BACE1 (0.55) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9379538 0.87 MEN1 (0.53) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9380901 0.87 MEN1 (0.53) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9374793 0.87 CYP26A1 (0.53) CYP26A1CYP3A4RARAMAPK14KMT2A
SCHEMBL9840194 0.86 NPC1 (0.52) MAPK14NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9375240 0.86 KMT2A (0.52) CYP26A1CYP3A4RARAMAPK14NPC1
SCHEMBL9380425 0.85 MAPT (0.50) CYP26A1CYP3A4RARAMAPK14NPC1

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
WO-1991001986-A1 N-(DIALKYLOXOPHOSPHINYLALKYL)-LACTAMS, PROCESS FOR PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-02-21 WO disclosed