SCHEMBL6979640

SCHEMBL6979640

CCC(CC)CNNC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.44
CTSC P53634 1/20 0.36
PSMB5 P28074 1/20 0.36
SYK P43405 1/20 0.34
CTSK P43235 1/20 0.34
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP1 P03956 1/20 0.33
HTR2A P28223 3/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GHSR Q92847 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 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
SCHEMBL6942460 0.92 ADAM17 (0.46) ADAM17CTSCPSMB5CTSKMMP2
SCHEMBL6981638 0.86 ADAM17 (0.46) ADAM17CTSCPSMB5CTSKMMP2
SCHEMBL6987317 0.85 ADAM17 (0.44) ADAM17PSMB5CTSKMMP2MMP3
SCHEMBL6942710 0.84 ADAM17 (0.46) ADAM17CTSCMMP2MMP3MMP7
SCHEMBL6220493 0.83 ADAM17 (0.48) ADAM17CTSCHTR2AGRIK1GRIK2
SCHEMBL6984686 0.83 ADAM17 (0.48) ADAM17CTSCHTR2AGRIK1GRIK2
SCHEMBL6986484 0.83 ADAM17 (0.48) ADAM17CTSCHTR2AGRIK1GRIK2
SCHEMBL6220502 0.83 ADAM17 (0.48) ADAM17CTSCHTR2AGRIK1GRIK2
SCHEMBL6220496 0.83 ADAM17 (0.48) ADAM17CTSCHTR2AGRIK1GRIK2
SCHEMBL6220497 0.83 ADAM17 (0.48) ADAM17CTSCHTR2AGRIK1GRIK2

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 2 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