SCHEMBL6945328

SCHEMBL6945328

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(Cc1ccc(Br)cc1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.33
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL6943971 0.95 ADAM17 (0.32) ADAM17MMP2MMP9ANPEPCA1
SCHEMBL6947183 0.92 ALDH1A1 (0.32) MMP2MMP9
SCHEMBL6943358 0.89 ADAM17 (0.32) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6943556 0.89 ADAM17 (0.33) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL8111706 0.89 ADAM17 (0.33) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6942209 0.89 ADAM17 (0.33) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6944327 0.89 TGFBR1 (0.31) CA1CA2
SCHEMBL6946835 0.89 ADAM17 (0.32) ADAM17MMP2MMP9ANPEPCA1
SCHEMBL6946731 0.88 ADAM17 (0.33) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6945554 0.88 ADAM17 (0.33) 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