SCHEMBL6942867

SCHEMBL6942867

CC(C)C[C@@H](C(=O)NNS(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.68
MMP2 P08253 12/20 0.44
MMP3 P08254 12/20 0.44
MMP7 P09237 11/20 0.44
MMP1 P03956 9/20 0.44
MMP8 P22894 2/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
FCER2 P06734 1/20 0.40
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
SCHEMBL6687619 0.83 ADAM17 (0.65) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6687622 0.83 ADAM17 (0.65) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6941116 0.83 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945780 0.83 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6941584 0.83 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942514 0.81 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL13274076 0.81 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL4481744 0.81 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6813847 0.81 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6940945 0.81 ADAM17 (0.75) ADAM17MMP2MMP3MMP7MMP1

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