SCHEMBL6984686

SCHEMBL6984686

CC(C)CC(C(=O)NN)[C@H](C/C=C\c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.48
HTR2A P28223 3/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CTSC P53634 1/20 0.38
MAPT P10636 6/20 0.37
MAPK1 P28482 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 5/20 0.36
POLB P06746 4/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 2/20 0.36
REN P00797 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6986484 1.00 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6220493 1.00 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6220497 1.00 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6220496 1.00 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6220502 1.00 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL7847702 0.92 ADAM17 (0.43) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL7847705 0.92 ADAM17 (0.43) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6223927 0.88 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2MAPT
SCHEMBL6223932 0.88 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2MAPT
SCHEMBL6220557 0.88 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2MAPT

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