SCHEMBL12428862

SCHEMBL12428862

COCCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
KCNH2 Q12809 7/20 0.43
NR1I2 O75469 5/20 0.43
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 2/20 0.40
KDM2B Q8NHM5 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12428863 0.92 PRKCA (0.45) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12427623 0.91 PRKCA (0.43) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12428860 0.91 PRKCA (0.46) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12428868 0.89 KCNH2 (0.45) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12427744 0.89 PRKCA (0.49) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12427612 0.89 PRKCA (0.44) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL10283285 0.88 PRKCA (0.40) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12429364 0.88 PRKCA (0.42) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12429418 0.88 KCNH2 (0.44) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12429237 0.87 PRKCA (0.41) PRKCAMMP12KCNH2NR1I2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed