SCHEMBL845476

SCHEMBL845476

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H]3CCCO3)cc2)cc1)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 4/20 0.46
F2 P00734 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 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
SCHEMBL845120 0.97 HPGD (0.47) HPGDALDH1A1POLBF2NPC1
SCHEMBL845500 0.95 HPGD (0.51) HPGDALDH1A1POLBF2NPC1
SCHEMBL845495 0.95 HPGD (0.51) HPGDALDH1A1POLBF2NPC1
SCHEMBL845457 0.93 HPGD (0.55) HPGDALDH1A1POLBF2NPC1
SCHEMBL18887497 0.88 HPGD (0.46) HPGDALDH1A1POLBF2NPC1
SCHEMBL14723787 0.87 HPGD (0.50) HPGDALDH1A1POLBF2NPC1
SCHEMBL845129 0.86 F2 (0.45) HPGDALDH1A1POLBF2NPC1
SCHEMBL10119592 0.85 F2 (0.43) HPGDALDH1A1POLBF2NPC1
SCHEMBL17474773 0.85 HPGD (0.54) HPGDALDH1A1POLBF2NPC1
SCHEMBL17488503 0.85 HPGD (0.54) HPGDALDH1A1POLBF2NPC1

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