SCHEMBL9707087

SCHEMBL9707087

CC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.48
MMP2 P08253 5/20 0.47
MMP9 P14780 4/20 0.47
ADAMTS4 O75173 2/20 0.47
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
PIN1 Q13526 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
SCHEMBL9765320 1.00 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9707094 1.00 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL27284050 0.89 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9707055 0.87 CA2 (0.57) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL9707060 0.87 CA2 (0.57) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL9707042 0.85 NR3C1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9513690 0.85 NR3C1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9765250 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAMMP2MMP9
SCHEMBL9765301 0.82 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765289 0.82 NR3C1 (0.62) SMN1; SMN2MEN1KMT2AL3MBTL1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
CN-1011780-B PROCESS FOR PRODUCING PHENOXYACETIC ACID DERIVATIVES TANABE SEIYAKU CO (JP) 1991-02-27 CN disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
CN-87105501-A New phenoxyacetic acid derivative and preparation method thereof and contain its and form as the medicine of activeconstituents 1988-02-17 CN disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed