SCHEMBL12428329

SCHEMBL12428329

CCC1CCCN(CCCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(Cl)cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KDM2B Q8NHM5 2/20 0.34
SCN9A Q15858 1/20 0.34
ESR1 P03372 3/20 0.34
NR1I2 O75469 1/20 0.34
HRH3 Q9Y5N1 5/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CCR3 P51677 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
SCHEMBL12427956 0.96 PRKCA (0.42) PRKCAMMP12KDM2BSCN9AESR1
SCHEMBL12428150 0.96 PRKCA (0.42) PRKCAMMP12KDM2BSCN9AESR1
SCHEMBL12428144 0.96 PRKCA (0.42) PRKCAMMP12KDM2BSCN9AESR1
SCHEMBL12428448 0.95 PRKCA (0.41) PRKCAMMP12KDM2BSCN9AESR1
SCHEMBL12428204 0.93 PRKCA (0.40) PRKCAMMP12SCN9AESR1NR1I2
SCHEMBL803872 0.92 PRKCA (0.42) PRKCAMMP12KDM2BSCN9AESR1
SCHEMBL12428410 0.92 PRKCA (0.43) PRKCAMMP12KDM2BSCN9AESR1
SCHEMBL12428104 0.91 HRH3 (0.42) PRKCAMMP12HRH3KDM4EALDH1A1
SCHEMBL12428527 0.91 PRKCA (0.41) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12427944 0.90 PRKCA (0.42) PRKCAMMP12SCN9AHRH3KDM4E

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