SCHEMBL184906

SCHEMBL184906

COc1ccc(OC(C(=O)O)c2ccc(S(=O)(=O)C3CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.51
GCK P35557 2/20 0.50
MMP1 P03956 4/20 0.46
MMP8 P22894 2/20 0.46
MMP2 P08253 7/20 0.43
MMP9 P14780 4/20 0.43
ELOVL6 Q9H5J4 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MMP3 P08254 4/20 0.42
MMP7 P09237 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL184731 0.90 GCK (0.50) MMP13GCKELOVL6KEAP1NFE2L2
SCHEMBL184678 0.89 GCK (0.43) MMP13GCKALDH1A1
SCHEMBL184640 0.88 GCK (0.50) MMP13GCKMMP1MMP8ELOVL6
SCHEMBL184498 0.87 GCK (0.63) GCKELOVL6KEAP1NFE2L2
SCHEMBL197390 0.87 GCK (0.50) GCKKEAP1NFE2L2
SCHEMBL185529 0.84 GCK (0.48) GCKELOVL6KEAP1NFE2L2
SCHEMBL184976 0.84 GCK (0.48) GCKMMP2MMP9KEAP1NFE2L2
SCHEMBL185010 0.82 GCK (0.48) GCK
SCHEMBL184592 0.82 GCK (0.51) GCKMMP2MMP9F10PRSS1
SCHEMBL9768743 0.82 MEN1 (0.50) NPSR1NPC1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402327-B1 Acetamide compounds as glucokinase activators, their process and medicinal applications IMPETIS BIOSCIENCES LTD (IN) 2018-03-07 EP disclosed
EP-2402327-A1 Acetamide compounds as glucokinase activators, their process and medicinal applications Advinus Therapeutics Private Limited (IN) 2012-01-04 EP disclosed