SCHEMBL13381708

SCHEMBL13381708

Cc1ccccc1Oc1ccc(S(=O)(=O)NCC(c2ccc(O)c(O)c2)N2CCN(C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ USP2 O75604 1/20 0.43

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
SCHEMBL13381622 0.91 GAA (0.52) ALDH1A1TSHRL3MBTL1GAA
SCHEMBL13381698 0.90 KMT2A (0.49) ALDH1A1TSHRL3MBTL1GAA
SCHEMBL13381695 0.90 L3MBTL1 (0.50) ALDH1A1TSHRL3MBTL1GAA
SCHEMBL13381621 0.87 TSHR (0.58) ALDH1A1TSHR
SCHEMBL13381614 0.85 MAPT (0.49) ALDH1A1TSHRL3MBTL1GAA
SCHEMBL2846556 0.85 TP53 (0.53) —
SCHEMBL13381705 0.84 TSHR (0.49) ALDH1A1TSHRL3MBTL1GAA
SCHEMBL13381709 0.83 TSHR (0.48) ALDH1A1TSHRL3MBTL1
SCHEMBL13381703 0.83 ADAM33 (0.52) ALDH1A1TSHRL3MBTL1
SCHEMBL13381499 0.83 ALDH1A1 (0.45) ALDH1A1TSHRL3MBTL1GAA

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