SCHEMBL845105

SCHEMBL845105

O=C(NC1CCCC1)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 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.39
F10 P00742 1/20 0.39
TGM2 P21980 2/20 0.38
F13A1 P00488 1/20 0.38
TGM1 P22735 1/20 0.38

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
SCHEMBL845136 0.88 POLB (0.59) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845654 0.87 POLB (0.59) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845357 0.87 POLB (0.72) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL844848 0.87 POLB (0.72) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845132 0.87 POLB (0.72) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845451 0.85 POLB (0.57) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845523 0.82 POLB (0.59) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845689 0.81 POLB (0.58) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845254 0.81 POLB (0.58) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL844855 0.81 POLB (0.58) POLBKDM1ARCOR1KDM4ELMNA

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