SCHEMBL7103635

SCHEMBL7103635

CCCC(CC(C)CC)(C(=O)NN)S(=O)(=O)C[C@@H](CN(C)C)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.44
CTSC P53634 1/20 0.33
MASP2 O00187 1/20 0.31
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
SCHEMBL7101063 0.93 ADAM17 (0.39) ADAM17
SCHEMBL7100106 0.78 ADAM17 (0.40) ADAM17
Hydrochloric Acid SCHEMBL7105152 0.78 ADAM17 (0.40) ADAM17
SCHEMBL6939564 0.76 ADAM17 (0.40) ADAM17CTSCMASP2GRIK1GRIK2
SCHEMBL6940773 0.76 ADAM17 (0.40) ADAM17CTSCMASP2GRIK1GRIK2
SCHEMBL7104725 0.75 ADAM17 (0.39) ADAM17MASP2
Hydrochloric Acid SCHEMBL7104764 0.74 ADAM17 (0.39) ADAM17MASP2
Hydrochloric Acid SCHEMBL6982510 0.73 ADAM17 (0.39) ADAM17CTSCMASP2GRIK1GRIK2
SCHEMBL6981776 0.72 ADAM17 (0.39) ADAM17CTSCMASP2GRIK1GRIK2
Hydrochloric Acid SCHEMBL6985991 0.72 ADAM17 (0.39) ADAM17CTSCMASP2GRIK1GRIK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP claimed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP claimed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO claimed
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed