SCHEMBL6945333

SCHEMBL6945333

CC(C)C[C@@H](C(=O)NN(Cc1ccc(Br)cc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.55
APP P05067 2/20 0.32
MMP2 P08253 4/20 0.32
MMP9 P14780 4/20 0.32
ANPEP P15144 2/20 0.32
LTA4H P09960 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
P2RX3 P56373 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP7 P09237 1/20 0.30
MMP10 P09238 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
SCHEMBL6943975 0.96 ADAM17 (0.56) ADAM17APPMMP2MMP9ANPEP
SCHEMBL6947186 0.93 ADAM17 (0.52) ADAM17APPMMP9MMP1MMP13
SCHEMBL6946243 0.93 ADAM17 (0.53) ADAM17APPMMP2MMP9ANPEP
SCHEMBL6945312 0.92 ADAM17 (0.53) ADAM17APPMMP2MMP9MMP1
SCHEMBL6943250 0.91 ADAM17 (0.50) ADAM17MMP2MMP9MMP1MMP13
SCHEMBL6944330 0.90 ADAM17 (0.52) ADAM17APPMMP2MMP9CA1
SCHEMBL6939910 0.90 ADAM17 (0.57) ADAM17APPMMP2MMP9ANPEP
SCHEMBL6947109 0.90 ADAM17 (0.57) ADAM17APPMMP2MMP9ANPEP
SCHEMBL6939914 0.90 ADAM17 (0.57) ADAM17APPMMP2MMP9ANPEP
SCHEMBL6943561 0.90 ADAM17 (0.67) ADAM17APPMMP2MMP9ANPEP

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