SCHEMBL6943384

SCHEMBL6943384

CCC[C@@](C(C)=O)(C(=O)NN)c1ccc(C)cc1[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
CTSK P43235 5/20 0.34
MAPT P10636 1/20 0.33
NTSR1 P30989 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPR3 P17342 1/20 0.33
LTA4H P09960 1/20 0.32
ADAM17 P78536 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
SCHEMBL6941574 0.87 ADAM17 (0.38) MMP1MMP3MMP9ADAM17
SCHEMBL6942324 0.80 CREBBP (0.31) MMP1MMP3
SCHEMBL6940308 0.79 MMP1 (0.41) MMP1MMP3MMP9CTSKADAM17
SCHEMBL6939987 0.74 NPC1 (0.33) MAPTTDP1ADAM17
SCHEMBL7076167 0.72 ADAM17 (0.39) MMP1MMP3MMP9ADAM17
SCHEMBL6943182 0.72 CTSC (0.34) MAPTADAM17
SCHEMBL7940341 0.69 F10 (0.32) MMP1MAPTNTSR1NPSR1TDP1
SCHEMBL6941637 0.68 NPC1 (0.34) CTSKMAPTNTSR1NPSR1TDP1
SCHEMBL6944592 0.67 NPC1 (0.38) MMP3ADAM17
SCHEMBL6947988 0.67 ALDH1A1 (0.37) MAPTTDP1

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