SCHEMBL6590023

SCHEMBL6590023

COc1ccc(-c2ccc(C3=CCN(S(=O)(=O)CC(=O)NO)CC3)cc2C)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.77
MMP3 P08254 12/20 0.77
CCNT1 O60563 4/20 0.45
CDK9 P50750 4/20 0.45
QDPR P09417 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL6590619 0.91 MMP2 (0.65) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6586903 0.87 MMP3 (1.00) MMP2MMP3
SCHEMBL6586215 0.85 MMP3 (1.00) MMP2MMP3
SCHEMBL6586371 0.85 MMP3 (0.77) MMP2MMP3QDPR
SCHEMBL6587727 0.84 MMP3 (0.76) MMP2MMP3
SCHEMBL6584535 0.84 MMP3 (1.00) MMP2MMP3
SCHEMBL6589722 0.83 MMP3 (0.81) MMP2MMP3CCNT1CDK9
SCHEMBL6590251 0.83 MMP2 (0.71) MMP2MMP3
SCHEMBL6584456 0.82 MMP3 (1.00) MMP2MMP3
SCHEMBL6583128 0.82 MMP2 (0.73) 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