SCHEMBL7104739

SCHEMBL7104739

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)CCCN(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.52

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
SCHEMBL7100919 0.93 ADAM17 (0.51) ADAM17
SCHEMBL7100568 0.93 ADAM17 (0.53) ADAM17
SCHEMBL7105146 0.92 ADAM17 (0.55) ADAM17
SCHEMBL6943561 0.89 ADAM17 (0.67) ADAM17
SCHEMBL7103578 0.87 ADAM17 (0.50) ADAM17
SCHEMBL6940769 0.86 ADAM17 (0.46) ADAM17
SCHEMBL6945556 0.86 ADAM17 (0.58) ADAM17
SCHEMBL6945793 0.85 ADAM17 (0.55) ADAM17
SCHEMBL6942509 0.85 ADAM17 (0.55) ADAM17
SCHEMBL6946725 0.85 ADAM17 (0.56) ADAM17

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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed