SCHEMBL9614028

SCHEMBL9614028

Cc1ccc(S(=O)(=O)C(CCCOCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 11/20 0.51
▸ MMP9 P14780 10/20 0.51
▸ MMP3 P08254 2/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ AR P10275 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL9613904 0.90 MMP2 (0.53) MMP2MMP9MMP3MMP13LMNA
SCHEMBL10420695 0.82 MMP2 (0.55) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL872842 0.82 MMP9 (0.56) MMP2MMP9LMNAMAPTALDH1A1
SCHEMBL9614226 0.81 MMP2 (0.52) MMP2MMP9MMP3MMP13LMNA
SCHEMBL10419465 0.81 MMP2 (0.54) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL10420884 0.81 MMP2 (0.54) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL10420440 0.81 MMP2 (0.54) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL6220362 0.81 ALDH1A1 (0.42) MMP2MMP9MMP3LMNAMAPT
SCHEMBL9614324 0.81 MMP2 (0.46) MMP2MMP9MMP3MMP13LMNA
SCHEMBL9858481 0.80 MMP2 (0.53) MMP2MMP9MMP3MMP13LMNA

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
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