SCHEMBL9765250

SCHEMBL9765250

COc1ccc(S(=O)(=O)NC(C)Cc2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MMP2 P08253 4/20 0.54
MMP9 P14780 4/20 0.54
MMP8 P22894 2/20 0.54
MMP13 P45452 2/20 0.54
MMP14 P50281 1/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
ADRB3 P13945 1/20 0.52
ADAMTS4 O75173 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HSD17B10 Q99714 1/20 0.50
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49

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
SCHEMBL9765257 0.86 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2MMP2MMP9
SCHEMBL9765301 0.86 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2MMP2MMP9
SCHEMBL9707055 0.85 CA2 (0.57) ALDH1A1MMP2MMP9MMP13GAA
SCHEMBL9707060 0.85 CA2 (0.57) ALDH1A1MMP2MMP9MMP13GAA
SCHEMBL9765267 0.84 ADAMTS4 (0.55) ALDH1A1POLBSMN1; SMN2MMP2MMP9
SCHEMBL9513690 0.83 NR3C1 (0.51) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL9707042 0.83 NR3C1 (0.51) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL9707087 0.83 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MMP2MMP9
SCHEMBL9765320 0.83 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MMP2MMP9
SCHEMBL9707094 0.83 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MMP2MMP9

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
JP-1279826-A None JP disclosed
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
JP-H01279826-A BLOOD PLATELET AGGLUTINATION INHIBITOR TANABE SEIYAKU CO LTD 1989-11-10 JP disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed