SCHEMBL6585783

SCHEMBL6585783

COC(=O)CS(=O)(=O)N1CC=C(c2ccc(Br)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.59
MMP3 P08254 12/20 0.59
EGLN1 Q9GZT9 2/20 0.46
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.40
USP5 P45974 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
SCHEMBL6590060 0.88 MMP3 (0.73) MMP2MMP3ALDH1A1PKMUSP5
SCHEMBL6586496 0.87 MMP2 (0.69) MMP2MMP3ALDH1A1PKMUSP5
SCHEMBL6440525 0.86 MMP2 (0.59) MMP2MMP3EGLN1LMNATHRB
SCHEMBL6586123 0.81 MMP2 (0.78) MMP2MMP3ALDH1A1PKMUSP5
SCHEMBL6586576 0.79 MMP2 (0.80) MMP2MMP3LMNAALDH1A1PKM
SCHEMBL6587364 0.78 MMP2 (0.63) MMP2MMP3ALDH1A1PKM
SCHEMBL6584687 0.78 MMP2 (0.67) MMP2MMP3
SCHEMBL6584461 0.78 MMP2 (0.65) MMP2MMP3
SCHEMBL6590619 0.77 MMP2 (0.65) MMP2MMP3SIGMAR1
SCHEMBL6587024 0.77 MMP2 (0.59) MMP2MMP3LMNATHRB

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 4 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
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed