SCHEMBL12427641

SCHEMBL12427641

CC(C)(C)OC(=O)N1CCC(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GPR119 Q8TDV5 9/20 0.39
LIMK2 P53671 1/20 0.37
TGFBR1 P36897 1/20 0.37
SCN9A Q15858 1/20 0.37
P2RY14 Q15391 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL12428390 0.93 PRKCA (0.43) PRKCAMMP12SCN9ACYP2C9
SCHEMBL12429429 0.93 KDM4E (0.39) PRKCAMMP12KDM4EPKMGPR119
SCHEMBL12427652 0.91 PRKCA (0.44) PRKCAMMP12KDM4EPKMGPR119
SCHEMBL792654 0.91 GPR119 (0.40) KDM4EPKMGPR119TGFBR1
SCHEMBL803973 0.90 PRKCA (0.48) PRKCAMMP12KDM4ESCN9ANR1I2
SCHEMBL12427743 0.88 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL10283182 0.87 GPR119 (0.37) KDM4EPKMGPR119TGFBR1
SCHEMBL12427646 0.87 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12427731 0.87 PRKCA (0.44) PRKCAMMP12SCN9A
SCHEMBL12427690 0.86 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2CYP3A4

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