SCHEMBL14435341

SCHEMBL14435341

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.50
MMP12 P39900 1/20 0.50
NR1I2 O75469 2/20 0.41
SRD5A2 P31213 2/20 0.40
SCN9A Q15858 3/20 0.39
KMO O15229 1/20 0.37
CNR1 P21554 1/20 0.36
SRD5A1 P18405 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
FABP4 P15090 1/20 0.32
HCAR3 P49019 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
SCHEMBL772286 0.90 PRKCA (0.54) PRKCAMMP12NR1I2SRD5A2SCN9A
SCHEMBL4826803 0.89 PRKCA (0.51) PRKCAMMP12NR1I2SRD5A2SCN9A
SCHEMBL13940284 0.86 PRKCA (0.49) PRKCAMMP12NR1I2SRD5A2SCN9A
SCHEMBL772130 0.83 PRKCA (0.53) PRKCAMMP12NR1I2SRD5A2SCN9A
SCHEMBL773872 0.83 PRKCA (0.53) PRKCAMMP12NR1I2SRD5A2SCN9A
SCHEMBL896011 0.82 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL30065382 0.82 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3085838 0.81 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL894955 0.81 PRKCA (0.47) PRKCAMMP12NR1I2SRD5A2SCN9A
SCHEMBL4830061 0.81 PRKCA (0.55) PRKCAMMP12NR1I2SRD5A2SCN9A

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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed