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Sugi Predict / Compounds / SCHEMBL7092246

SCHEMBL7092246

SCHEMBL7092246

CCCCC1(CCCC)C(=O)[SH]c2cc(O)ccc2N(c2ccc(NC(=O)OC(C)(C)C)cc2)C1=O.CCCCC1(CCCC)CN(c2ccc(N)cc2)c2ccc(O)cc2S(=O)(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 1/20 0.35

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
SCHEMBL5226066 0.85 SLC10A2 (0.44) SLC10A2
SCHEMBL5227031 0.77 SLC10A2 (0.40) SLC10A2
SCHEMBL5228158 0.74 SLC10A2 (0.43) SLC10A2
SCHEMBL5225650 0.73 SLC10A2 (0.40) SLC10A2
SCHEMBL7090524 0.72 SLC10A2 (0.41) SLC10A2
SCHEMBL21586000 0.69 SLC10A2 (0.47) SLC10A2
SCHEMBL5224145 0.68 NR1H4 (0.41) SLC10A2
SCHEMBL5224147 0.68 NR1H4 (0.41) SLC10A2
SCHEMBL5222572 0.68 SLC10A2 (0.40) SLC10A2
SCHEMBL5222581 0.68 SLC10A2 (0.40) 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-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 — — EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 — — WO disclosed