SCHEMBL6880159

SCHEMBL6880159

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.47
USP2 O75604 1/20 0.46
PLAU P00749 1/20 0.46
HPN P05981 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
FKBP1A P62942 1/20 0.46

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
SCHEMBL19011450 1.00 GAA (0.52) GAAHPGDL3MBTL1MAPK1TSHR
SCHEMBL9217074 0.91 GAA (0.54) GAAHPGDL3MBTL1MAPK1TSHR
SCHEMBL10037152 0.88 GAA (0.51) GAAHPGDL3MBTL1MAPK1TSHR
SCHEMBL10037208 0.85 GAA (0.49) GAAHPGDL3MBTL1MAPK1TSHR
SCHEMBL10037207 0.85 GAA (0.49) GAAHPGDL3MBTL1MAPK1TSHR
SCHEMBL5885882 0.82 GAA (0.46) GAAHPGDL3MBTL1MAPK1TSHR
SCHEMBL19989287 0.82 ALDH1A1 (0.46) HPGDL3MBTL1ALDH1A1PKM
SCHEMBL19989286 0.82 ALDH1A1 (0.46) HPGDL3MBTL1ALDH1A1PKM
SCHEMBL29859198 0.82 ALDH1A1 (0.46) HPGDL3MBTL1ALDH1A1PKM
SCHEMBL29110399 0.79 NPSR1 (0.51) GAAHPGDL3MBTL1TSHRPOLB

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-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed