SCHEMBL3096348

SCHEMBL3096348

NC1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.70
MMP12 P39900 1/20 0.70
NR1I2 O75469 7/20 0.38
SCN9A Q15858 4/20 0.38
KMO O15229 1/20 0.35
PDE5A O76074 1/20 0.33
CNR1 P21554 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
LTA4H P09960 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL2957529 1.00 PRKCA (0.70) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3080762 0.90 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3079634 0.90 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL395908 0.89 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4211798 0.89 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3098287 0.87 PRKCA (0.81) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL14110618 0.87 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL2957655 0.86 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3088711 0.86 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL771226 0.86 PRKCA (0.66) PRKCAMMP12NR1I2SCN9AKMO

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