SCHEMBL8355674

SCHEMBL8355674

Cc1cc(COc2ccc(C[C@@H]3C[C@@H]3C(=O)N3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.61

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
SCHEMBL8354913 1.00 ADAM17 (0.61) ADAM17
SCHEMBL8354899 0.88 ADAM17 (0.72) ADAM17
SCHEMBL8353777 0.88 ADAM17 (0.72) ADAM17
SCHEMBL6741074 0.83 ADAM17 (0.68) ADAM17
SCHEMBL13648183 0.82 ADAM17 (0.77) ADAM17
SCHEMBL13648189 0.82 ADAM17 (0.77) ADAM17
SCHEMBL7650602 0.80 ADAM17 (0.62) ADAM17
SCHEMBL8353591 0.79 ADAM17 (0.59) ADAM17
Trifluoroacetic Acid SCHEMBL6736529 0.79 ADAM17 (0.62) ADAM17
SCHEMBL7656290 0.79 ADAM17 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003053915-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2003-07-03 WO disclosed