SCHEMBL6987148

SCHEMBL6987148

CCCC(CC(C)CC)(C(=O)NN)C(=O)[C@](C)(NC(N)=O)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.35
ADAM17 P78536 2/20 0.33
HTR2A P28223 3/20 0.32
MASP2 O00187 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
EGFR P00533 1/20 0.30
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 0.30

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
Hydrochloric Acid SCHEMBL6983018 0.92 CTSC (0.35) CTSCADAM17HTR2AMASP2MMP1
SCHEMBL6981776 0.80 ADAM17 (0.39) CTSCADAM17HTR2AMASP2GRIK1
Hydrochloric Acid SCHEMBL6982151 0.79 CTSC (0.35) CTSCADAM17HTR2AMASP2GRIK1
Hydrochloric Acid SCHEMBL6982639 0.79 CTSC (0.36) CTSCADAM17HTR2AMASP2EGFR
SCHEMBL6986210 0.78 ADAM17 (0.31) CTSCADAM17
Hydrochloric Acid SCHEMBL6982510 0.77 ADAM17 (0.39) CTSCADAM17HTR2AMASP2GRIK1
Hydrochloric Acid SCHEMBL6985991 0.76 ADAM17 (0.39) CTSCADAM17HTR2AMASP2GRIK1
Hydrochloric Acid SCHEMBL7811423 0.76 ADAM17 (0.39) CTSCADAM17HTR2AMASP2GRIK1
SCHEMBL6986163 0.74 ADAM17 (0.33) CTSCADAM17
SCHEMBL6980044 0.72 ADAM17 (0.36) ADAM17GRIK1GRIK2

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