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Sugi Predict / Compounds / SCHEMBL4790922

SCHEMBL4790922

SCHEMBL4790922

CCCCC1(CC)C(O)C(c2ccccc2)c2cc(SCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)ccc2S(=O)(=O)C1N.CCCCC1(CC)CS(=O)(=O)c2ccc(SCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(O)cc3)cc2C(c2ccccc2)C1O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 20/20 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
Ammonia Solution, Strong SCHEMBL3611677 0.94 SLC10A2 (0.49) SLC10A2
SCHEMBL931590 0.91 SLC10A2 (0.36) SLC10A2
SCHEMBL5762558 0.91 SLC10A2 (0.53) SLC10A2
Ammonia Solution, Strong SCHEMBL1183723 0.90 SLC10A2 (0.52) SLC10A2
SCHEMBL3611683 0.88 SLC10A2 (0.34) SLC10A2
SCHEMBL920147 0.86 SLC10A2 (0.59) SLC10A2
Ammonia Solution, Strong SCHEMBL5497725 0.82 SLC10A2 (0.52) SLC10A2
SCHEMBL3875478 0.76 MTTP (0.32) —
Ammonia Solution, Strong SCHEMBL5497727 0.75 SLC10A2 (0.54) SLC10A2
SCHEMBL1362226 0.72 SLC10A2 (0.72) SLC10A2

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-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 — — EP disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 — — WO disclosed