SCHEMBL12428343

SCHEMBL12428343

CC(C)COc1ccc2c(c1)N(CCN1CCCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 5/20 0.38
SCN9A Q15858 3/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NR1I2 O75469 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 2/20 0.34
SCN5A Q14524 2/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL804200 0.93 PRKCA (0.40) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL12428353 0.92 PRKCA (0.39) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL12427921 0.92 PRKCA (0.42) POLBALDH1A1MAPTTHRBPRKCA
SCHEMBL10283614 0.92 PRKCA (0.42) ALDH1A1LMNAMAPTTSHRPRKCA
SCHEMBL12427985 0.92 PRKCA (0.42) ALDH1A1LMNAMAPTTSHRPRKCA
SCHEMBL12428358 0.91 PRKCA (0.39) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL12427623 0.90 PRKCA (0.43) POLBALDH1A1LMNAMAPTPRKCA
SCHEMBL12429237 0.89 PRKCA (0.41) ALDH1A1PRKCAMMP12KCNH2SCN9A
SCHEMBL804229 0.88 PRKCA (0.46) POLBTSHRPRKCAMMP12KCNH2
SCHEMBL10283489 0.88 EGFR (0.44) POLBALDH1A1PRKCAMMP12KDM4E

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