SCHEMBL10119362

SCHEMBL10119362

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3OC[C@H]3CCCO3)cc2)cc1)[C@H]1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.48
ALDH1A1 P00352 7/20 0.48
POLB P06746 4/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 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
SCHEMBL873261 0.91 LMNA (0.43) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL10119355 0.91 LMNA (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL872107 0.88 KMT2A (0.42) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL845457 0.79 HPGD (0.55) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL872441 0.77 HPGD (0.38) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL845500 0.77 HPGD (0.51) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL845495 0.77 HPGD (0.51) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL845120 0.73 HPGD (0.47) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL845476 0.73 HPGD (0.46) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL873304 0.72 PFKFB3 (0.39)

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