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SCHEMBL6586211

SCHEMBL6586211

C=C(C)CC(C(=O)O)S(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.54
▸ MMP3 P08254 7/20 0.54
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ USP5 P45974 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD11B1 P28845 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 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
SCHEMBL6586213 1.00 MMP2 (0.54) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586218 1.00 MMP2 (0.54) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586010 0.89 MMP2 (0.53) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586378 0.89 MMP2 (0.58) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586382 0.89 MMP2 (0.58) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586006 0.89 MMP2 (0.53) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586009 0.89 MMP2 (0.53) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586387 0.89 MMP2 (0.58) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6582361 0.83 MMP2 (0.57) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6582367 0.83 MMP2 (0.57) MMP2MMP3ALDH1A1PKMNAMPT

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 1 patent. 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