SCHEMBL6590755

SCHEMBL6590755

CCOc1cccc(-c2ccc(C3=CCN(S(=O)(=O)C(C)(C)C(=O)OC)CC3)cc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.52
MMP3 P08254 14/20 0.52
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
FFAR4 Q5NUL3 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6433527 0.88 MMP2 (0.47) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6582915 0.85 MMP2 (0.72) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588048 0.82 MMP2 (0.57) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586527 0.80 MMP2 (0.71) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6439725 0.79 MMP2 (0.62) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586244 0.79 MMP2 (0.49) MMP2MMP3HTR1A
SCHEMBL6590027 0.78 MMP2 (0.61) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584515 0.77 MMP2 (0.59) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437646 0.76 MMP2 (0.48) MMP2MMP3CCNT1CDK9
SCHEMBL6584020 0.76 MMP2 (0.72) MMP2MMP3MMP1MMP9MMP14

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