SCHEMBL14253263

SCHEMBL14253263

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)C/C=C\COc1ccccc1-3

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.61
MMP12 P39900 1/20 0.61
NR1I2 O75469 3/20 0.39
SCN9A Q15858 4/20 0.38
KMO O15229 1/20 0.36
CNR1 P21554 1/20 0.33
CYP3A4 P08684 5/20 0.33
CYP2C19 P33261 5/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
FABP4 P15090 1/20 0.31

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
SCHEMBL771226 0.87 PRKCA (0.66) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL772828 0.85 PRKCA (0.64) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL30486080 0.85 PRKCA (0.64) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL877519 0.84 PRKCA (0.63) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3079634 0.83 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3080762 0.83 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL4830083 0.82 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3096348 0.82 PRKCA (0.70) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL2957529 0.82 PRKCA (0.70) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL394639 0.80 PRKCA (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed