SCHEMBL3578124

SCHEMBL3578124

CC(C)(C)OC(=O)NC1Cn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CCKAR P32238 3/20 0.36
CCKBR P32239 3/20 0.36
SCN9A Q15858 1/20 0.36
NR1I2 O75469 4/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1L1 Q9UHC9 2/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL3664850 0.93 PRKCA (0.40) PRKCAMMP12PSEN1PSEN2APH1B
SCHEMBL3630941 0.88 PRKCA (0.49) PRKCAMMP12PSEN1PSEN2APH1B
SCHEMBL3942843 0.82 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2EPHX2
SCHEMBL2960110 0.80 PRKCA (0.63) PRKCAMMP12SCN9ANR1I2NPC1L1
SCHEMBL874916 0.78 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CCNB2
SCHEMBL391104 0.78 PRKCA (0.54) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL4107837 0.78 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL4113065 0.78 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL13940288 0.76 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2EPHX2
SCHEMBL3940946 0.75 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CYP3A4

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
US-7662809-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-02-16 US disclosed