SCHEMBL6940260

SCHEMBL6940260

CC(C)C[C@@H](C(=O)NN(c1ccccc1)S(C)(=O)=O)[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.56
MMP1 P03956 9/20 0.56
MMP3 P08254 7/20 0.56
MMP9 P14780 6/20 0.56
MMP8 P22894 5/20 0.56
MMP13 P45452 4/20 0.56
ADAM17 P78536 4/20 0.49
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC7 Q8WUI4 4/20 0.38
MMP14 P50281 4/20 0.38
ELANE P08246 1/20 0.37
HDAC1 Q13547 3/20 0.37
MMP7 P09237 3/20 0.37
ADAM10 O14672 1/20 0.37
FCER2 P06734 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL6947989 0.86 MMP1 (0.46) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6945858 0.82 ADAM17 (0.57) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6941765 0.81 ADAM17 (0.52) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6939991 0.80 MMP1 (0.42) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6940945 0.80 ADAM17 (0.75) MMP2MMP1MMP3MMP9MMP8
SCHEMBL7076170 0.78 MMP1 (0.49) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6940214 0.78 ADAM17 (0.48) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6939949 0.77 ADAM17 (0.47) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6945656 0.76 ADAM17 (0.71) MMP2MMP1MMP3MMP9MMP8
SCHEMBL7280170 0.75 MMP2 (0.60) MMP2MMP1MMP3MMP9MMP8

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed