SCHEMBL22484941

SCHEMBL22484941

CCCCC1(CCCO)CN(c2ccccc2)c2cc(SC)c(OCC(=O)NC(C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.57
SLC10A2 Q12908 4/20 0.35
CTSD P07339 3/20 0.31

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
Elobixibat SCHEMBL1183501 0.97 NR1H4 (0.59) NR1H4SLC10A2CTSD
Elobixibat SCHEMBL29351648 0.97 NR1H4 (0.59) NR1H4SLC10A2CTSD
Elobixibat SCHEMBL5386837 0.97 NR1H4 (0.59) NR1H4SLC10A2CTSD
Elobixibat SCHEMBL5940599 0.97 NR1H4 (0.59) NR1H4SLC10A2CTSD
Elobixibat SCHEMBL29974592 0.97 NR1H4 (0.59) NR1H4SLC10A2CTSD
SCHEMBL14559659 0.95 NR1H4 (0.57) NR1H4SLC10A2CTSD
SCHEMBL5224917 0.95 NR1H4 (0.59) NR1H4SLC10A2CTSD
SCHEMBL919390 0.95 NR1H4 (0.59) NR1H4SLC10A2CTSD
SCHEMBL22485252 0.95 NR1H4 (0.56) NR1H4SLC10A2CTSD
SCHEMBL1183058 0.94 NR1H4 (0.65) NR1H4SLC10A2

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-2020194531-A1 AGENT FOR REDUCING BLOOD UREMIC SUBSTANCE 国立大学法人東北大学 2020-10-01 WO disclosed