SCHEMBL6588048

SCHEMBL6588048

CCOc1cncc(-c2ccc(C3=CCN(S(=O)(=O)C(C)(C)C(=O)OC)CC3)cc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.57
MMP3 P08254 14/20 0.57
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CTPS1 P17812 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6582915 0.89 MMP2 (0.72) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6590755 0.82 MMP2 (0.52) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6586244 0.81 MMP2 (0.49) MMP2MMP3
SCHEMBL6439725 0.81 MMP2 (0.62) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6590027 0.81 MMP2 (0.61) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6590101 0.80 MMP2 (0.65) MMP2MMP3CTPS1MMP1MMP9
SCHEMBL6584020 0.80 MMP2 (0.72) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6586191 0.80 MMP2 (0.76) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6584515 0.80 MMP2 (0.59) MMP2MMP3CCNT1CDK9MMP1
SCHEMBL6437646 0.77 MMP2 (0.48) 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