SCHEMBL6585837

SCHEMBL6585837

Cc1cc(C2=CCN(S(=O)(=O)C(C)(C)C(=O)O)CC2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.50
MMP3 P08254 12/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
QDPR P09417 1/20 0.39
PTGDR Q13258 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6590092 0.90 MMP2 (0.47) MMP2MMP3L3MBTL1LMNATHRB
SCHEMBL6437646 0.88 MMP2 (0.48) MMP2MMP3L3MBTL1LMNATHRB
SCHEMBL6587473 0.82 MMP2 (0.58) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6437476 0.81 MMP2 (0.49) MMP2MMP3L3MBTL1LMNATHRB
SCHEMBL6440525 0.77 MMP2 (0.59) MMP2MMP3L3MBTL1LMNATHRB
SCHEMBL6586466 0.76 MMP2 (0.51) MMP2MMP3L3MBTL1
SCHEMBL6584020 0.76 MMP2 (0.72) MMP2MMP3
SCHEMBL6584985 0.76 MMP2 (0.51) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6965353 0.75 MMP2 (0.46) MMP2MMP3L3MBTL1LMNATHRB
SCHEMBL6585475 0.74 MMP2 (0.61) MMP2MMP3L3MBTL1ALDH1A1PKM

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-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed