SCHEMBL6944330

SCHEMBL6944330

CC(C)C[C@@H](C(=O)NN(Cc1cccc(O)c1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.52
APP P05067 5/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
MMP14 P50281 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PSMB5 P28074 1/20 0.31
TGFBR1 P36897 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 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 0.94 ADAM17 (0.56) ADAM17APPMMP1MMP2MMP7
SCHEMBL6945312 0.91 ADAM17 (0.53) ADAM17APPMMP1MMP2MMP7
SCHEMBL6947169 0.91 ADAM17 (0.51) ADAM17APPMMP1MMP2MMP7
SCHEMBL6946243 0.90 ADAM17 (0.53) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6945333 0.90 ADAM17 (0.55) ADAM17APPMMP1MMP2MMP7
SCHEMBL6943951 0.90 ADAM17 (0.51) ADAM17APPMMP1MMP2MMP7
SCHEMBL6947186 0.89 ADAM17 (0.52) ADAM17APPMMP1MMP9MMP13
SCHEMBL6942429 0.89 ADAM17 (0.55) ADAM17APPMMP1MMP2MMP7
SCHEMBL6939910 0.89 ADAM17 (0.57) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6939914 0.89 ADAM17 (0.57) ADAM17APPMMP2MMP9TGFBR1

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