SCHEMBL4637650

SCHEMBL4637650

CCCCC1(CC)NC(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(O)cc3)cc2SC1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
SLC10A2 Q12908 10/20 0.36

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
SCHEMBL1184606 0.84 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL4598864 0.74 NR1H4 (0.47) NR1H4
SCHEMBL5690082 0.74 NR1H4 (0.48) NR1H4
SCHEMBL3875478 0.72 MTTP (0.32)
SCHEMBL24437501 0.72 NR1H4 (0.51) NR1H4SLC10A2
SCHEMBL4642249 0.71 NR1H4 (0.50) NR1H4SLC10A2
SCHEMBL26235945 0.70 NR1H4 (0.79) NR1H4SLC10A2
SCHEMBL5274004 0.70 NR1H4 (0.47) NR1H4
SCHEMBL919321 0.70 NR1H4 (0.79) NR1H4SLC10A2
SCHEMBL4660631 0.70 NR1H4 (0.48) NR1H4

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
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed