SCHEMBL845129

SCHEMBL845129

O=C(CC1CC1)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H]3CCCO3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
HPGD P15428 7/20 0.43
POLB P06746 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GPR183 P32249 1/20 0.39

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
SCHEMBL845495 0.91 HPGD (0.51) F2HPGDPOLBALDH1A1LMNA
SCHEMBL845500 0.91 HPGD (0.51) F2HPGDPOLBALDH1A1LMNA
SCHEMBL845457 0.89 HPGD (0.55) F2HPGDPOLBALDH1A1LMNA
SCHEMBL18887526 0.89 F2 (0.45) F2HPGDPOLBALDH1A1LMNA
SCHEMBL845120 0.87 HPGD (0.47) F2HPGDPOLBALDH1A1LMNA
SCHEMBL845476 0.86 HPGD (0.46) F2HPGDPOLBALDH1A1LMNA
SCHEMBL10119592 0.82 F2 (0.43) F2HPGDPOLBALDH1A1LMNA
SCHEMBL17474773 0.81 HPGD (0.54) F2HPGDPOLBALDH1A1LMNA
SCHEMBL17488503 0.81 HPGD (0.54) F2HPGDPOLBALDH1A1LMNA
SCHEMBL872291 0.80 F2 (0.41) F2HPGDPOLBALDH1A1LMNA

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
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed