SCHEMBL6947403

SCHEMBL6947403

CC(C)C[C@@H](C(=O)NNS(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)OC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.45
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ANPEP P15144 2/20 0.36
LTA4H P09960 1/20 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
PSMB5 P28074 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MGLL Q99685 1/20 0.33
GAA P10253 1/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 1/20 0.32
APP P05067 1/20 0.32
CTSK P43235 1/20 0.31

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
SCHEMBL6937845 0.89 ADAM17 (0.46) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6947400 0.89 ADAM17 (0.46) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7937743 0.86 ADAM17 (0.65) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6942119 0.86 ADAM17 (0.50) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6947169 0.82 ADAM17 (0.51) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7928798 0.81 ADAM17 (0.46) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6942867 0.78 ADAM17 (0.68) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6942243 0.78 ADAM17 (0.40) ADAM17MMP2MMP9ALDH1A1GAA
SCHEMBL6983937 0.78 ADAM17 (0.42) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7955132 0.77 ADAM17 (0.44) ADAM17MMP2MMP9ANPEPLTA4H

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