SCHEMBL6943812

SCHEMBL6943812

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(C=C1CCCCC1)(CC(C)C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.34
MMP2 P08253 4/20 0.34
MMP8 P22894 4/20 0.34
MMP3 P08254 2/20 0.34
MMP13 P45452 1/20 0.31
ADAM17 P78536 3/20 0.31

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
SCHEMBL6939545 0.90 MMP1 (0.32) MMP1MMP2MMP8MMP3MMP13
SCHEMBL6938049 0.81 ADAM17 (0.35) MMP1MMP2MMP8MMP3MMP13
SCHEMBL4481740 0.77 ADAM17 (0.46) MMP1MMP2MMP8MMP3MMP13
SCHEMBL6942610 0.77 ADAM17 (0.46) MMP1MMP2MMP8MMP3MMP13
SCHEMBL6945887 0.76
SCHEMBL6945575 0.75 MMP2 (0.39) MMP1MMP2MMP8MMP3MMP13
SCHEMBL6937757 0.75 ADAM17 (0.34) ADAM17
SCHEMBL6940029 0.72 MMP1 (0.36) MMP1MMP2MMP8MMP3MMP13
SCHEMBL6943861 0.72 ADAM17 (0.39) MMP2MMP8ADAM17
SCHEMBL6942689 0.71 MMP1 (0.35) MMP1MMP2MMP8MMP3MMP13

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