SCHEMBL6987723

SCHEMBL6987723

CCCC(C[C@](C)(CCC)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C)C(=O)NN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.36
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.32
HTR2A P28223 3/20 0.32
MMP3 P08254 2/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MMP2 P08253 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL7815835 1.00 CTSC (0.36) CTSCGRIK1GRIK2LMNATSHR
SCHEMBL6982254 0.85 HDAC3 (0.37) CTSCGRIK1GRIK2LMNAMAPT
SCHEMBL6983883 0.76 GRIK1 (0.37) CTSCGRIK1GRIK2LMNATSHR
SCHEMBL6982221 0.76 REN (0.34) CTSCLMNATSHRHTR2A
SCHEMBL6986026 0.76 REN (0.33) CTSCLMNATSHRHTR2A
SCHEMBL6942707 0.71 CTSC (0.35) CTSCGRIK1GRIK2LMNAMAPT
SCHEMBL7957560 0.70 GHSR (0.37) CTSCGRIK1GRIK2LMNATSHR
SCHEMBL6220502 0.70 ADAM17 (0.48) CTSCGRIK1GRIK2MAPTHTR2A
SCHEMBL6220493 0.70 ADAM17 (0.48) CTSCGRIK1GRIK2MAPTHTR2A
SCHEMBL6984686 0.70 ADAM17 (0.48) CTSCGRIK1GRIK2MAPTHTR2A

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-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-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed