SCHEMBL6008403

SCHEMBL6008403

COC(=O)N[C@@](C#C[Si](C)(C)C)(C=O)CN1Cc2ccc(OC)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.42
TNF P01375 7/20 0.40

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
SCHEMBL12878375 0.86 ADAM17 (0.44) ADAM17TNF
SCHEMBL10112013 0.84 ADAM17 (0.43) ADAM17TNF
SCHEMBL10112103 0.84 ADAM17 (0.43) ADAM17TNF
SCHEMBL10112111 0.79 ADAM17 (0.44) ADAM17TNF
SCHEMBL13218722 0.78 ADAM17 (0.38) ADAM17TNF
SCHEMBL6008382 0.77 ADAM17 (0.44) ADAM17TNF
SCHEMBL12862659 0.76 ADAM17 (0.43) ADAM17TNF
SCHEMBL10263491 0.76 ADAM17 (0.41) ADAM17TNF
SCHEMBL13201492 0.76 DRD2 (0.41) ADAM17TNF
SCHEMBL17570767 0.76 ADAM17 (0.46) ADAM17TNF

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
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 US disclosed