SCHEMBL6942353

SCHEMBL6942353

CC(C)C[C@@H](C(=O)NN1C(=O)c2ccccc2C1=O)C(C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.46
GAA P10253 2/20 0.41
MMP2 P08253 6/20 0.40
MMP3 P08254 6/20 0.40
MMP1 P03956 5/20 0.40
MMP8 P22894 4/20 0.40
MMP13 P45452 3/20 0.40
MMP9 P14780 2/20 0.40
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MMP7 P09237 3/20 0.34
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL6942356 1.00 ADAM17 (0.46) ADAM17GAAMMP2MMP3MMP1
SCHEMBL27522457 1.00 ADAM17 (0.46) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6945099 0.87 ADAM17 (0.58) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6945094 0.87 ADAM17 (0.58) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6945072 0.87 ADAM17 (0.58) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6946881 0.87 ADAM17 (0.44) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6946872 0.87 ADAM17 (0.44) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6946875 0.87 ADAM17 (0.44) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6946879 0.87 ADAM17 (0.44) ADAM17GAAMMP2MMP3MMP1
SCHEMBL6220231 0.85 ADAM17 (0.43) ADAM17GAAMMP2MMP3MMP1

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 2 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