SCHEMBL7993608

SCHEMBL7993608

N#Cc1ccc(-c2ccc(OCCOc3ccc4ccccc4c3C(=O)NO)cc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.94
MMP2 P08253 5/20 0.52
MMP1 P03956 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL7979043 0.81 MMP3 (0.65) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7997116 0.76 MMP3 (0.69) MMP3MMP2MMP9
SCHEMBL7389205 0.74 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7398557 0.72 MMP3 (1.00) MMP3HDAC1HDAC2
SCHEMBL7389210 0.72 MMP3 (0.90) MMP3HDAC1HDAC2
SCHEMBL7997139 0.72 MMP3 (0.72) MMP3
SCHEMBL7398298 0.72 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7487118 0.70 MMP3 (0.65) MMP3
SCHEMBL2680423 0.69 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP13
SCHEMBL31443147 0.69 MMP3 (0.49) MMP3

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
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US claimed
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed