SCHEMBL3655172

SCHEMBL3655172

O=C(CC1CCc2ccccc21)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(NCC1CCCCC1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 18/20 0.42
▸ EPHX1 P07099 2/20 0.39
▸ ANO2 Q9NQ90 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL3655174 0.92 NPSR1 (0.37) ANO1EPHX1EPHX2
SCHEMBL1953497 0.89 ANO1 (0.52) ANO1ANO2
SCHEMBL1952342 0.85 ANO1 (0.54) ANO1ANO2
SCHEMBL12756765 0.74 ALDH1A1 (0.41) ANO1
SCHEMBL7957424 0.73 ANO1 (0.57) ANO1ANO2
SCHEMBL7951495 0.72 PRMT5 (0.34) ANO1
SCHEMBL1954070 0.70 ANO1 (0.61) ANO1ANO2
SCHEMBL1953124 0.69 ANO1 (0.57) ANO1ANO2
SCHEMBL1951883 0.69 ANO1 (0.57) ANO1ANO2
SCHEMBL1907652 0.69 ANO1 (0.57) ANO1ANO2

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 — — WO disclosed
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