SCHEMBL6983883

SCHEMBL6983883

CCCC(C[C@@H](c1ccc(C)cc1)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C)C(=O)NN

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.37
GRIK2 Q13002 5/20 0.37
CTSC P53634 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
MAPT P10636 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
F10 P00742 2/20 0.33
ADAM17 P78536 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CYP1B1 Q16678 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL6220497 0.76 ADAM17 (0.48) GRIK1GRIK2CTSCMAPTADAM17
SCHEMBL6986484 0.76 ADAM17 (0.48) GRIK1GRIK2CTSCMAPTADAM17
SCHEMBL6220502 0.76 ADAM17 (0.48) GRIK1GRIK2CTSCMAPTADAM17
SCHEMBL6220496 0.76 ADAM17 (0.48) GRIK1GRIK2CTSCMAPTADAM17
SCHEMBL6220493 0.76 ADAM17 (0.48) GRIK1GRIK2CTSCMAPTADAM17
SCHEMBL6984686 0.76 ADAM17 (0.48) GRIK1GRIK2CTSCMAPTADAM17
SCHEMBL6987723 0.76 CTSC (0.36) GRIK1GRIK2CTSCMAPTMMP2
SCHEMBL7815835 0.76 CTSC (0.36) GRIK1GRIK2CTSCMAPTMMP2
SCHEMBL6942707 0.74 CTSC (0.35) GRIK1GRIK2CTSCMAPTLMNA
SCHEMBL6945570 0.71 LMNA (0.43) GRIK1GRIK2MMP2MMP3AAK1

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