SCHEMBL845136

SCHEMBL845136

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
F10 P00742 2/20 0.39
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GFER P55789 1/20 0.37
CYP3A4 P08684 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CTRB1 P17538 1/20 0.37

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
SCHEMBL845451 0.93 POLB (0.57) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845654 0.89 POLB (0.59) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845455 0.89 POLB (0.50) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845105 0.88 POLB (0.56) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845132 0.87 POLB (0.72) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845357 0.87 POLB (0.72) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL844848 0.87 POLB (0.72) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845689 0.83 POLB (0.58) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL845254 0.83 POLB (0.58) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL844855 0.83 POLB (0.58) POLBKDM4ELMNAMEN1KMT2A

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 3 patents. 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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed