SCHEMBL6944514

SCHEMBL6944514

CC(C)C[C@@H](C(=O)NN1CCCS1)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
APP P05067 4/20 0.34
TGFBR1 P36897 1/20 0.33
CTSK P43235 1/20 0.32
MMP1 P03956 4/20 0.32
MMP9 P14780 4/20 0.32
MMP2 P08253 3/20 0.32
MMP14 P50281 2/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32
MMP13 P45452 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 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
MMP3 P08254 3/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL6944517 1.00 ADAM17 (0.39) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL6942358 0.98 ADAM17 (0.38) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL6942361 0.98 ADAM17 (0.38) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL7955132 0.85 ADAM17 (0.44) ADAM17APPTGFBR1MMP9MMP2
SCHEMBL7835552 0.85 ADAM17 (0.44) ADAM17APPTGFBR1MMP9MMP2
SCHEMBL6946530 0.85 ADAM17 (0.40) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL6946529 0.85 ADAM17 (0.40) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL7828157 0.84 ADAM17 (0.39) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL7845600 0.84 ADAM17 (0.38) ADAM17APPTGFBR1CTSKMMP1
SCHEMBL7839914 0.83 ADAM17 (0.39) ADAM17APPTGFBR1CTSKMMP1

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