SCHEMBL27900249

SCHEMBL27900249

COc1cccc(S(=O)(=O)NCC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MEP1B Q16820 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ PKM P14618 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL27917786 0.86 ALDH1A1 (0.62) TGFBR1ALDH1A1PKMGAAMAPT
SCHEMBL27900248 0.86 TGFBR1 (0.54) TGFBR1L3MBTL1SMN1; SMN2ALDH1A1PKM
SCHEMBL14834064 0.83 MGLL (0.67) TGFBR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL27917924 0.83 ALDH1A1 (0.70) TGFBR1SMN1; SMN2ALDH1A1PKM
SCHEMBL27900131 0.83 FBP1 (0.57) TGFBR1SMN1; SMN2ALDH1A1PKM
SCHEMBL27900247 0.81 CNR2 (0.55) TGFBR1ALDH1A1PKMMAPT
SCHEMBL27917915 0.81 MAPT (0.59) TGFBR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27917838 0.81 BCHE (0.65) TGFBR1ALDH1A1PKM
SCHEMBL27917828 0.80 TGFBR1 (0.59) TGFBR1L3MBTL1SMN1; SMN2ALDH1A1PKM
SCHEMBL27900201 0.79 CCR8 (0.53) TGFBR1SMN1; SMN2ALDH1A1PKM

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
CN-103068797-A Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI SA 2013-04-24 — — CN disclosed
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