SCHEMBL12428358

SCHEMBL12428358

COCC1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(OCC(C)C)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
KCNH2 Q12809 6/20 0.37
POLB P06746 1/20 0.36
NR1I2 O75469 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
ACHE P22303 2/20 0.33
MAOB P27338 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL12428353 0.94 PRKCA (0.39) PRKCAMMP12KCNH2POLBNR1I2
SCHEMBL12428298 0.93 PRKCA (0.40) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12429156 0.93 PRKCA (0.40) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12429164 0.92 PRKCA (0.41) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL804200 0.91 PRKCA (0.40) PRKCAMMP12KCNH2POLBALDH1A1
SCHEMBL12428343 0.91 POLB (0.43) PRKCAMMP12KCNH2POLBNR1I2
SCHEMBL12428227 0.90 PRKCA (0.41) PRKCAMMP12NR1I2ALDH1A1CYP3A4
SCHEMBL12428276 0.90 PRKCA (0.41) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12428047 0.88 PRKCA (0.42) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL10283551 0.88 PRKCA (0.42) 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