SCHEMBL6945862

SCHEMBL6945862

COC(=O)[C@@H](OCc1ccccc1)[C@@H](CC(C)C)C(=O)NN(CC(C)C)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.53
MMP1 P03956 1/20 0.39
PSMB5 P28074 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
CTSK P43235 5/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
BIRC2 Q13490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 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
SCHEMBL6940822 0.80 ADAM17 (0.56) ADAM17MMP1PSMB5ADAMTS4MMP2
SCHEMBL6946515 0.79 SLC1A3 (0.49) MMP1PSMB5CTSKCA12CA2
SCHEMBL6946518 0.79 SLC1A3 (0.49) MMP1PSMB5CTSKCA12CA2
SCHEMBL6942960 0.79 ADAM17 (0.43) ADAM17MMP1PSMB5ADAMTS4MMP2
SCHEMBL6942387 0.77 ADAM17 (0.71) ADAM17MMP1MMP2MMP13MMP14
SCHEMBL6943886 0.72 MMP1 (0.41) ADAM17MMP1PSMB5MMP2MMP13
SCHEMBL6943883 0.72 MMP1 (0.41) ADAM17MMP1PSMB5MMP2MMP13
SCHEMBL6937848 0.72 ADAM17 (0.64) ADAM17MMP1MMP2MMP13MMP14
SCHEMBL6946654 0.71 ADAM17 (0.53) ADAM17MMP1PSMB5MMP2MMP13
SCHEMBL6941952 0.71 ADAM17 (0.65) ADAM17MMP1ADAMTS4MMP2MMP13

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