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SCHEMBL7091229

SCHEMBL7091229

CCCCC1(CC)CN(c2ccccc2)c2cc(OC)c(OCC(=O)O)cc2S(=O)(=O)C1.CCCCC1(CC)CN(c2ccccc2)c2cc(OC)c(OCC(=O)OCC)cc2S(=O)(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 18/20 0.50
▸ ALDH1A1 P00352 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ NR1H4 Q96RI1 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
SCHEMBL5225256 0.98 SLC10A2 (0.46) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL5222000 0.94 SLC10A2 (0.46) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL5221960 0.94 SLC10A2 (0.55) SLC10A2NR1H4
SCHEMBL7091381 0.94 SLC10A2 (0.44) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL5222698 0.91 SLC10A2 (0.54) SLC10A2NR1H4
SCHEMBL6633251 0.91 SLC10A2 (0.41) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL3806800 0.88 SLC10A2 (0.38) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL14559698 0.88 SLC10A2 (0.38) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL7093163 0.88 SLC10A2 (0.41) SLC10A2ALDH1A1PRNPGAAMAPT
SCHEMBL8015441 0.87 SLC10A2 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 — — EP disclosed
EP-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 — — EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 — — WO disclosed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 — — WO disclosed