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Sugi Predict / Compounds / SCHEMBL4642249

SCHEMBL4642249

SCHEMBL4642249

CCCC[C@@]1(CC)CS(=O)(=O)c2cc(OCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(O)cc3)c(SC)cc2[C@](N)(c2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.50
▸ SLC10A2 Q12908 16/20 0.41

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
SCHEMBL919120 0.80 NR1H4 (0.61) NR1H4SLC10A2
SCHEMBL919016 0.80 NR1H4 (0.62) NR1H4SLC10A2
SCHEMBL919321 0.79 NR1H4 (0.79) NR1H4SLC10A2
SCHEMBL26235945 0.79 NR1H4 (0.79) NR1H4SLC10A2
Ammonia Solution, Strong SCHEMBL5230168 0.79 NR1H4 (0.61) NR1H4SLC10A2
SCHEMBL1184606 0.79 NR1H4 (0.47) NR1H4SLC10A2
Ammonia Solution, Strong SCHEMBL5742061 0.79 NR1H4 (0.78) NR1H4SLC10A2
Ammonia Solution, Strong SCHEMBL5742064 0.79 NR1H4 (0.78) NR1H4SLC10A2
SCHEMBL14570573 0.77 NR1H4 (0.57) NR1H4SLC10A2
SCHEMBL5225487 0.77 NR1H4 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 — — EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 — — WO disclosed