SCHEMBL6942860

SCHEMBL6942860

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.46
ANPEP P15144 2/20 0.38
LTA4H P09960 1/20 0.38
MMP3 P08254 4/20 0.37
MMP2 P08253 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MMP7 P09237 1/20 0.37
MMP1 P03956 3/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL6941112 0.83 MMP1 (0.47) ADAM17MMP3MMP2MMP1MMP9
SCHEMBL6947398 0.81 ADAM17 (0.34) ADAM17ANPEPLTA4HMMP2MMP9
SCHEMBL6937840 0.81 ADAM17 (0.34) ADAM17ANPEPLTA4HMMP2MMP9
SCHEMBL6984066 0.80 ADAM17 (0.39) ADAM17ANPEPLTA4HMMP3MMP2
SCHEMBL7835803 0.75 ADAM17 (0.36) ADAM17
SCHEMBL6945777 0.74 ADAM17 (0.47) ADAM17ANPEPLTA4HMMP3MMP2
SCHEMBL6941579 0.74 ADAM17 (0.46) ADAM17ANPEPLTA4HMMP3MMP2
SCHEMBL6945043 0.74 ADAM17 (0.35) ADAM17MMP3MMP2
SCHEMBL6942458 0.73 ADAM17 (0.37) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL6943368 0.73 ADAM17 (0.37) ADAM17HDAC3HDAC4HDAC1HDAC7

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