SCHEMBL6590619

SCHEMBL6590619

COC(=O)CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(OC)c(OC)c3)c(C)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.65
MMP3 P08254 12/20 0.65
CCNT1 O60563 4/20 0.45
CDK9 P50750 4/20 0.45
QDPR P09417 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL6590023 0.91 MMP2 (0.77) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6586576 0.87 MMP2 (0.80) MMP2MMP3
SCHEMBL6586433 0.87 MMP2 (0.85) MMP2MMP3CCNT1CDK9
SCHEMBL6584172 0.86 MMP2 (0.61) MMP2MMP3CCNT1CDK9
SCHEMBL6584461 0.85 MMP2 (0.65) MMP2MMP3CCNT1CDK9
SCHEMBL6590114 0.84 MMP2 (0.58) MMP2MMP3
SCHEMBL6587364 0.84 MMP2 (0.63) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6587634 0.84 MMP2 (0.82) MMP2MMP3CCNT1CDK9
SCHEMBL6588399 0.84 MMP2 (0.59) MMP2MMP3CCNT1CDK9
SCHEMBL6590460 0.84 MMP2 (0.72) MMP2MMP3CCNT1CDK9

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