SCHEMBL6944677

SCHEMBL6944677

CC(C)CC[C@H](C(=O)NOC1CCCCO1)[C@@H](CC(C)C)C(=O)NN(CC(C)C)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.40
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL6945603 0.93 ADAM17 (0.38) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6946922 0.91 ADAM17 (0.37) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6940361 0.91 ADAM17 (0.37) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6941514 0.88 ADAM17 (0.43) ADAM17
SCHEMBL7928825 0.88 ADAM17 (0.37) ADAM17MMP1MMP8
SCHEMBL6947666 0.88 ADAM17 (0.37) ADAM17MMP1MMP8
SCHEMBL6945567 0.87 ADAM17 (0.44) ADAM17MMP1MMP2MMP3
SCHEMBL6947921 0.85 ADAM17 (0.42) ADAM17
SCHEMBL6942312 0.85 ADAM17 (0.46) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6945889 0.85 ADAM17 (0.42) ADAM17

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