SCHEMBL6946037

SCHEMBL6946037

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(/C=C/c1ccccc1)(CC1CCCCC1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MMP2 P08253 8/20 0.36
ANPEP P15144 3/20 0.36
MMP9 P14780 3/20 0.36
LTA4H P09960 2/20 0.36
LAP3 P28838 1/20 0.36
NPEPPS P55786 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
MMP3 P08254 7/20 0.35
MMP1 P03956 4/20 0.35
MMP14 P50281 1/20 0.33
APP P05067 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 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
SCHEMBL6939483 0.99 ADAM17 (0.41) ADAM17ALDH1A1GAAMMP2ANPEP
SCHEMBL6943171 0.97 ADAM17 (0.41) ADAM17ALDH1A1GAAMMP2ANPEP
SCHEMBL6942191 0.96 ADAM17 (0.42) ADAM17ALDH1A1GAAMMP2ANPEP
SCHEMBL6939924 0.92 ADAM17 (0.40) ADAM17ALDH1A1GAAMMP2ANPEP
SCHEMBL6943399 0.88 ALDH1A1 (0.34) ADAM17ALDH1A1GAAMMP2ANPEP
SCHEMBL6942260 0.86 ALDH1A1 (0.32) ADAM17ALDH1A1GAAMMP2ANPEP
SCHEMBL4481740 0.85 ADAM17 (0.46) ADAM17MMP2ANPEPMMP9LTA4H
SCHEMBL6942610 0.85 ADAM17 (0.46) ADAM17MMP2ANPEPMMP9LTA4H
SCHEMBL6941767 0.85 ADAM17 (0.46) ADAM17MMP2ANPEPMMP9LTA4H
SCHEMBL6943358 0.85 ADAM17 (0.32) ADAM17ALDH1A1GAAMMP2ANPEP

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