SCHEMBL6420311

SCHEMBL6420311

CC(C)(C)[Si](C)(C)OCc1ccc(Oc2ccc(I)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.47
CYP3A4 P08684 2/20 0.43
IDO1 P14902 2/20 0.43
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PPARG P37231 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL3012099 0.92 CYP3A4 (0.50) APPCYP3A4IDO1
SCHEMBL6419484 0.84 PCNA (0.37) APP
SCHEMBL4496052 0.80 PREP (0.48) APPIDO1RXRARXRBPREP
SCHEMBL3426875 0.78 AGXT (0.32) APPCYP3A4IDO1
SCHEMBL14282994 0.77 MAOB (0.47) IDO1PPARG
SCHEMBL9366384 0.76 APP (0.40) APPRXRARXRB
SCHEMBL12855670 0.75 AGXT (0.52) IDO1
SCHEMBL906834 0.75 IDO1 (0.48) CYP3A4IDO1
SCHEMBL15489965 0.75 TDP1 (0.37) RXRARXRB
SCHEMBL4050106 0.75 APP (0.35) APPCYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 US disclosed
EP-2479578-A1 Mass defect labeling for the determination of oligomer sequences Target Discovery, Inc. (US) 2012-07-25 EP disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 US disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 US disclosed
US-6962818-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY (US) 2005-11-08 US disclosed