SCHEMBL3089205

SCHEMBL3089205

NCCNC1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.66
MMP12 P39900 1/20 0.66
NR1I2 O75469 4/20 0.37
SCN9A Q15858 2/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 3/20 0.34
MAPT P10636 1/20 0.33
CNR2 P34972 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL4206539 0.90 PRKCA (0.66) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3092955 0.89 PRKCA (0.76) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3088711 0.88 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL2957655 0.88 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3087122 0.87 PRKCA (0.61) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4211294 0.86 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3086916 0.85 PRKCA (0.60) PRKCAMMP12NR1I2SCN9ACYP3A4
Trifluoroacetic Acid SCHEMBL1244063 0.85 PRKCA (0.73) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3096348 0.85 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL2957529 0.85 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US claimed