SCHEMBL9710054

SCHEMBL9710054

CCOC(=O)Cc1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
GRM2 Q14416 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.40
PPID Q08752 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL5123961 0.87 ALDH1A1 (0.56) PPARAPPARGL3MBTL1ALDH1A1HTT
SCHEMBL1904920 0.86 SLC7A5 (0.49) ALDH1A1SMN1; SMN2CTBP2POLB
SCHEMBL2905044 0.86 SMN1; SMN2 (0.38) F10PPARGL3MBTL1ALDH1A1NPC1
SCHEMBL4465269 0.83 PTGDR2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL477990 0.83 LTB4R (0.46) PPARGL3MBTL1ALDH1A1MAOBMAPK1
SCHEMBL1869446 0.82 POLB (0.50) F10PPARAPPARGL3MBTL1TSHR
SCHEMBL152873 0.82 MAOB (0.38) F10L3MBTL1ALDH1A1HTTNPC1
SCHEMBL153427 0.81 MAPT (0.39) L3MBTL1SMN1; SMN2MAOBPOLB
SCHEMBL30646795 0.81 MAOB (0.39) F10GRM2L3MBTL1NPC1PKM
SCHEMBL14252745 0.81 SMN1; SMN2 (0.40) PPARGL3MBTL1ALDH1A1NPC1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed