SCHEMBL6941765

SCHEMBL6941765

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.52
APP P05067 2/20 0.44
MMP2 P08253 12/20 0.40
MMP1 P03956 8/20 0.40
MMP13 P45452 3/20 0.40
MMP8 P22894 3/20 0.40
FCER2 P06734 4/20 0.40
MMP3 P08254 6/20 0.39
MMP7 P09237 5/20 0.39
MMP9 P14780 7/20 0.39
MMP14 P50281 3/20 0.39
MMP10 P09238 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
LTA4H P09960 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL7076170 0.87 MMP1 (0.49) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6945858 0.85 ADAM17 (0.57) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6942498 0.85 CTSK (0.39) ADAM17APPMMP1FCER2MMP3
SCHEMBL6940945 0.83 ADAM17 (0.75) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6940214 0.83 ADAM17 (0.48) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6939949 0.81 ADAM17 (0.47) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6940260 0.81 MMP2 (0.56) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6944200 0.79 ADAM17 (0.45) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6945656 0.79 ADAM17 (0.71) ADAM17MMP2MMP1MMP13MMP8
SCHEMBL6939992 0.78 ADAM17 (0.41) ADAM17MMP1MMP13MMP8MMP3

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