SCHEMBL12427985

SCHEMBL12427985

CCOc1ccc2c(c1)N(CCN1CCCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SCN9A Q15858 2/20 0.38
GLA P06280 1/20 0.36
KCNH2 Q12809 6/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
NR1I2 O75469 2/20 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
SCHEMBL10283614 1.00 PRKCA (0.42) PRKCAMMP12ALDH1A1LMNATP53
SCHEMBL12429157 0.94 PRKCA (0.41) PRKCAMMP12ALDH1A1LMNATP53
SCHEMBL804220 0.93 PRKCA (0.41) PRKCAMMP12ALDH1A1LMNAHPGD
SCHEMBL12427623 0.92 PRKCA (0.43) PRKCAMMP12ALDH1A1LMNAMAPT
SCHEMBL12428179 0.92 PRKCA (0.41) PRKCAMMP12ALDH1A1LMNATP53
SCHEMBL12428343 0.92 POLB (0.43) PRKCAMMP12ALDH1A1LMNAHPGD
SCHEMBL12429237 0.92 PRKCA (0.41) PRKCAMMP12ALDH1A1KDM4ESCN9A
SCHEMBL12429156 0.91 PRKCA (0.40) PRKCAMMP12KDM4ESCN9AKCNH2
SCHEMBL10283513 0.91 PRKCA (0.39) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428298 0.91 PRKCA (0.40) PRKCAMMP12KDM4ESCN9AKCNH2

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