SCHEMBL6942460

SCHEMBL6942460

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.46
HTR2A P28223 3/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
CTSC P53634 1/20 0.34
PSMB5 P28074 2/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
CTSK P43235 2/20 0.34
MMP7 P09237 2/20 0.34
MMP1 P03956 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL6979640 0.92 ADAM17 (0.44) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6981638 0.89 ADAM17 (0.46) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6982398 0.89 CHRNB2 (0.45) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6987317 0.88 ADAM17 (0.44) ADAM17PSMB5MMP2MMP3CTSK
SCHEMBL6942710 0.88 ADAM17 (0.46) ADAM17HTR2ACTSCMMP2MMP3
SCHEMBL6986685 0.87 REN (0.40) ADAM17MMP2MMP3CTSKMMP1
SCHEMBL6220493 0.86 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6220496 0.86 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6220502 0.86 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC
SCHEMBL6984686 0.86 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC

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
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed