SCHEMBL9614009

SCHEMBL9614009

CCc1ccc(S(=O)(=O)C(CCCCCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.47
MMP1 P03956 6/20 0.47
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
MMP3 P08254 5/20 0.47
MMP9 P14780 6/20 0.46
TRPA1 O75762 1/20 0.42
MMP8 P22894 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
FKBP1A P62942 1/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41

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
SCHEMBL9614196 0.92 MMP2 (0.49) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL9614215 0.90 MMP2 (0.60) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10419552 0.89 TRPA1 (0.48) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10420693 0.89 TRPA1 (0.48) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10420420 0.89 TRPA1 (0.48) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10420884 0.88 MMP2 (0.54) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10420440 0.88 MMP2 (0.54) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10419465 0.88 MMP2 (0.54) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL10420695 0.87 MMP2 (0.55) MMP2MMP1PDE4APDE4BPDE4C
SCHEMBL9614061 0.86 ALDH1A1 (0.50) MMP2MMP1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed