SCHEMBL872849

SCHEMBL872849

CCCCOC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@@H](OC(=O)NC(C)CC)CN3C(=O)OCCCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 7/20 0.35
NPC1 O15118 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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 0.88 POLB (0.57) POLBKMT2AMEN1L3MBTL1CASP1
SCHEMBL845455 0.83 POLB (0.50) POLBKMT2AMEN1L3MBTL1HSD17B10
SCHEMBL845136 0.80 POLB (0.59) POLBKMT2AMEN1L3MBTL1CASP1
SCHEMBL845654 0.74 POLB (0.59) POLBKMT2AMEN1L3MBTL1MMP2
SCHEMBL13272182 0.73 LMNA (0.49) POLBKMT2AMEN1NPC1L3MBTL1
SCHEMBL845105 0.72 POLB (0.56) POLBKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL845132 0.70 POLB (0.72) POLBKMT2AMEN1L3MBTL1APOBEC3A
SCHEMBL844848 0.70 POLB (0.72) POLBKMT2AMEN1L3MBTL1APOBEC3A
SCHEMBL845357 0.70 POLB (0.72) POLBKMT2AMEN1L3MBTL1APOBEC3A
SCHEMBL845261 0.67 POLB (0.56) POLBKMT2AMEN1L3MBTL1HSD17B10

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