SCHEMBL845495

SCHEMBL845495

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H]3CCCO3)cc2)cc1)[C@@H]1CCCN1C(=O)[C@H]1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
POLB P06746 4/20 0.51
ALDH1A1 P00352 4/20 0.51
F2 P00734 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL845500 1.00 HPGD (0.51) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL845457 0.98 HPGD (0.55) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL845120 0.96 HPGD (0.47) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL845476 0.95 HPGD (0.46) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL845129 0.91 F2 (0.45) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL10119592 0.90 F2 (0.43) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL17474773 0.90 HPGD (0.54) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL17488503 0.90 HPGD (0.54) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL872291 0.88 F2 (0.41) HPGDPOLBALDH1A1F2RAB9A
SCHEMBL3046784 0.86 HPGD (0.51) HPGDPOLBALDH1A1F2RAB9A

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 2 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