SCHEMBL12428452

SCHEMBL12428452

CCOCC1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(Cl)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
KCNH2 Q12809 5/20 0.33
CYP3A4 P08684 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
NR1I2 O75469 4/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGER1 P34995 1/20 0.32
LTA4H P09960 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
SCHEMBL12428040 0.94 PRKCA (0.41) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL12428449 0.93 PRKCA (0.40) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL804202 0.92 PRKCA (0.40) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL12428144 0.92 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL12428150 0.92 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL12427956 0.92 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL12428448 0.91 PRKCA (0.41) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL12428517 0.91 PRKCA (0.41) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL10283200 0.91 PRKCA (0.44) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL12427977 0.91 PRKCA (0.41) PRKCAMMP12KCNH2CYP3A4SCN5A

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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed