SCHEMBL845133

SCHEMBL845133

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
F10 P00742 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GFER P55789 1/20 0.43
ENPP2 Q13822 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL845357 0.91 POLB (0.72) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845132 0.91 POLB (0.72) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL844848 0.91 POLB (0.72) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL846077 0.88 POLB (0.51) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845254 0.88 POLB (0.58) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845689 0.88 POLB (0.58) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL844855 0.88 POLB (0.58) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845354 0.87 POLB (0.57) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL29302663 0.87 POLB (0.61) POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845487 0.86 POLB (0.56) POLBKDM4ELMNAKDM1ARCOR1

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