SCHEMBL7424968

SCHEMBL7424968

CC(=O)N1CC(C(=O)O)N(S(=O)(=O)c2ccc(O)cc2)Cc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.63
MMP9 P14780 17/20 0.63
MMP13 P45452 17/20 0.63
ADAM17 P78536 17/20 0.63
POLB P06746 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MMP8 P22894 2/20 0.45
MMP3 P08254 1/20 0.45

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
SCHEMBL5655828 0.88 MMP1 (0.68) MMP1MMP9MMP13ADAM17
SCHEMBL6614299 0.88 MMP1 (0.80) MMP1MMP9MMP13ADAM17POLB
Dimethylamine SCHEMBL7424112 0.86 MMP1 (0.79) MMP1MMP9MMP13ADAM17POLB
SCHEMBL3940979 0.82 MMP13 (0.82) MMP1MMP9MMP13ADAM17
SCHEMBL6610996 0.81 MMP13 (0.71) MMP1MMP9MMP13ADAM17
SCHEMBL5654712 0.80 MMP13 (0.60) MMP1MMP9MMP13ADAM17
Dimethylamine SCHEMBL3948955 0.80 MMP13 (0.81) MMP1MMP9MMP13ADAM17
SCHEMBL5666010 0.79 MMP1 (0.69) MMP1MMP9MMP13ADAM17
SCHEMBL6609138 0.79 MMP1 (0.67) MMP1MMP9MMP13ADAM17POLB
SCHEMBL6607945 0.79 MMP1 (0.54) MMP1MMP9MMP13ADAM17MMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed