SCHEMBL14435458

SCHEMBL14435458

COCCNC(=O)C1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
MTNR1A P48039 11/20 0.41
MTNR1B P49286 11/20 0.41
HPGD P15428 1/20 0.38
NR1I2 O75469 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 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
SCHEMBL14253199 0.91 PRKCA (0.51) PRKCAMMP12MTNR1AMTNR1BNR1I2
SCHEMBL13936817 0.90 PRKCA (0.50) PRKCAMMP12MTNR1AMTNR1BHPGD
SCHEMBL13936818 0.89 PRKCA (0.59) PRKCAMMP12MTNR1AMTNR1BHPGD
SCHEMBL13936815 0.87 PRKCA (0.53) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4829932 0.87 PRKCA (0.53) PRKCAMMP12MTNR1AMTNR1BNR1I2
SCHEMBL394957 0.84 PRKCA (0.54) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL13936814 0.82 PRKCA (0.53) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL13936816 0.81 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4829981 0.81 PRKCA (0.47) PRKCAMMP12HPGDNR1I2CYP3A4
SCHEMBL13940117 0.81 PRKCA (0.48) PRKCAMMP12NR1I2CYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed