SCHEMBL6980852

SCHEMBL6980852

CC(C)[C@@H](C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
GRIK1 P39086 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 11/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL7764166 1.00 MMP3 (0.46) MMP3MMP1MMP9GRIK1CYP2D6
SCHEMBL6980849 1.00 MMP3 (0.46) MMP3MMP1MMP9GRIK1CYP2D6
SCHEMBL7764157 0.87 PLAU (0.43) MMP3MMP1MMP9KMT2ACTSK
SCHEMBL7764156 0.87 PLAU (0.43) MMP3MMP1MMP9KMT2ACTSK
SCHEMBL6659518 0.84 MMP3 (0.45) MMP3MMP1MMP9GRIK1KMT2A
SCHEMBL6943287 0.84 MMP3 (0.45) MMP3MMP1MMP9GRIK1KMT2A
SCHEMBL6659520 0.84 MMP3 (0.45) MMP3MMP1MMP9GRIK1KMT2A
SCHEMBL6943292 0.84 MMP3 (0.45) MMP3MMP1MMP9GRIK1KMT2A
SCHEMBL6987281 0.84 MMP3 (0.45) MMP3MMP1MMP9GRIK1KMT2A
SCHEMBL27561936 0.80 GRIK1 (0.48) GRIK1CYP2D6CYP2C9CYP2C19KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed