SCHEMBL6945575

SCHEMBL6945575

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.39
MMP1 P03956 10/20 0.39
MMP8 P22894 9/20 0.39
MMP13 P45452 4/20 0.39
ADAM17 P78536 10/20 0.37
MMP3 P08254 7/20 0.34
MMP9 P14780 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP7 P09237 3/20 0.33
TNF P01375 2/20 0.33
MMP20 O60882 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP10 P09238 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
MMP15 P51511 1/20 0.33
MMP16 P51512 1/20 0.33
MMP25 Q9NPA2 1/20 0.33
MMP26 Q9NRE1 1/20 0.33

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
SCHEMBL6940029 0.85 MMP1 (0.36) MMP2MMP1MMP8MMP13ADAM17
SCHEMBL6942689 0.84 MMP1 (0.35) MMP2MMP1MMP8MMP13ADAM17
SCHEMBL6942202 0.84 ADAM17 (0.32) MMP2MMP1MMP8MMP13ADAM17
SCHEMBL6941949 0.83 ADAM17 (0.37) MMP2MMP1MMP13ADAM17MMP3
SCHEMBL6938049 0.80 ADAM17 (0.35) MMP2MMP1MMP8MMP13ADAM17
SCHEMBL6942520 0.79 ADAM17 (0.41) MMP2MMP1MMP8MMP13ADAM17
SCHEMBL6942381 0.78 ADAM17 (0.40) MMP2MMP1ADAM17MMP3MMP9
SCHEMBL6943812 0.75 MMP1 (0.34) MMP2MMP1MMP8MMP13ADAM17
SCHEMBL6942609 0.75 ADAM17 (0.42) MMP2MMP1MMP13ADAM17MMP3
SCHEMBL6942610 0.74 ADAM17 (0.46) MMP2MMP1MMP8MMP13ADAM17

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-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