SCHEMBL6944459

SCHEMBL6944459

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.39
MMP3 P08254 10/20 0.38
MMP1 P03956 10/20 0.38
MMP2 P08253 9/20 0.38
MMP7 P09237 6/20 0.38
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
FCER2 P06734 3/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL6987624 0.90 MAPT (0.36) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6945158 0.90 ADAM17 (0.41) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6943938 0.89 ADAM17 (0.40) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6981660 0.88 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6986412 0.88 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6937767 0.88 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6981614 0.88 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6983453 0.88 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7
SCHEMBL6943849 0.87 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7
Hydrochloric Acid SCHEMBL6986445 0.87 ADAM17 (0.39) ADAM17MMP3MMP1MMP2MMP7

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