SCHEMBL13381622

SCHEMBL13381622

COc1ccccc1Oc1ccc(S(=O)(=O)NCC(c2ccc(O)c(O)c2)N2CCN(C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 1/20 0.45
▸ HCN1 O60741 1/20 0.45
▸ HCN4 Q9Y3Q4 1/20 0.45

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
SCHEMBL13381708 0.91 ALDH1A1 (0.49) GAAALDH1A1L3MBTL1TSHR
SCHEMBL13381698 0.90 KMT2A (0.49) GAAALDH1A1L3MBTL1TSHR
SCHEMBL13381695 0.90 L3MBTL1 (0.50) GAAALDH1A1L3MBTL1TSHR
SCHEMBL13381621 0.87 TSHR (0.58) ALDH1A1TSHRMAPT
SCHEMBL13381614 0.85 MAPT (0.49) GAAALDH1A1L3MBTL1TSHRMAPT
SCHEMBL2841803 0.85 TP53 (0.59) GAA
SCHEMBL13381705 0.84 TSHR (0.49) GAAALDH1A1L3MBTL1TSHRMAPT
SCHEMBL13381709 0.83 TSHR (0.48) ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL13381703 0.83 ADAM33 (0.52) ALDH1A1L3MBTL1TSHR
SCHEMBL13381499 0.83 ALDH1A1 (0.45) GAAALDH1A1L3MBTL1TSHR

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-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
Send feedback