SCHEMBL5815802

SCHEMBL5815802

CCCCC1(CC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)NCCNC(=O)Nc3ccccn3)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.32
GPR88 Q9GZN0 1/20 0.31
TP53 P04637 1/20 0.30
CTSD P07339 3/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4654280 0.94 NR1H4 (0.41) NR1H4ELANECTSD
SCHEMBL5721660 0.89 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL3835251 0.87 NR1H4 (0.44) NR1H4ELANECTSD
SCHEMBL5689568 0.87 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL5709264 0.87 NR1H4 (0.42) NR1H4ELANECTSD
SCHEMBL5711786 0.86 NR1H4 (0.39) NR1H4ELANE
SCHEMBL4598886 0.86 NR1H4 (0.43) NR1H4ELANECTSD
SCHEMBL3836167 0.86 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4624338 0.86 NR1H4 (0.40) NR1H4ELANECTSD
SCHEMBL4665640 0.85 NR1H4 (0.44) NR1H4ELANECTSD

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
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO disclosed