SCHEMBL845689

SCHEMBL845689

CO[C@@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@@H](OC)CN4C(=O)OCc4ccccc4)cc3)cc2)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
F10 P00742 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GFER P55789 1/20 0.42
ENPP2 Q13822 1/20 0.41
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40

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
SCHEMBL845254 1.00 POLB (0.58) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL844855 1.00 POLB (0.58) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL10119499 0.91 POLB (0.50) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL845529 0.90 POLB (0.56) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL845261 0.90 POLB (0.56) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL845487 0.90 POLB (0.56) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL845491 0.90 POLB (0.55) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL845133 0.88 POLB (0.62) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL845132 0.87 POLB (0.72) POLBKDM4ELMNANPSR1KDM1A
SCHEMBL844848 0.87 POLB (0.72) POLBKDM4ELMNANPSR1KDM1A

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed