SCHEMBL13381709

SCHEMBL13381709

CC(C)Oc1ccc(S(=O)(=O)NCC(c2ccc(O)c(O)c2)N2CCN(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL13381695 0.87 L3MBTL1 (0.50) TSHRALDH1A1L3MBTL1
SCHEMBL13381614 0.87 MAPT (0.49) TSHRALDH1A1MAPTL3MBTL1
SCHEMBL13381954 0.87 TSHR (0.46) TSHRALDH1A1MAPTL3MBTL1TP53
SCHEMBL13381621 0.87 TSHR (0.58) TSHRALDH1A1MAPTLMNATP53
SCHEMBL13381703 0.84 ADAM33 (0.52) TSHRALDH1A1L3MBTL1
SCHEMBL2843755 0.84 LMNA (0.54) MAPTLMNATP53
SCHEMBL13381708 0.83 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1
SCHEMBL13381622 0.83 GAA (0.52) TSHRALDH1A1MAPTL3MBTL1
SCHEMBL13381698 0.83 KMT2A (0.49) TSHRALDH1A1L3MBTL1
SCHEMBL13381722 0.82 TSHR (0.50) TSHRALDH1A1TP53

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
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