SCHEMBL10429124

SCHEMBL10429124

COc1cc(-c2coc(-c3cc(OC)c(O)c(OC)c3)n2)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
SMPD3 Q9NY59 11/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
NOX1 Q9Y5S8 1/20 0.40
APP P05067 1/20 0.40
MTOR P42345 1/20 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
Hydrochloric Acid SCHEMBL10429248 0.84 ENPP3 (0.44) ENPP3ENPP1SMPD3HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL10429250 0.84 ENPP3 (0.44) ENPP3ENPP1HSD17B1HSD17B2APP
SCHEMBL27732370 0.75 PDGFRB (0.48) ENPP3APP
SCHEMBL10429225 0.72 SMPD3 (0.45) SMPD3NOX1
SCHEMBL10429190 0.72 SMPD3 (0.43) SMPD3NOX1
Hydrochloric Acid SCHEMBL10653846 0.71 SMPD3 (0.42) SMPD3NOX1
SCHEMBL5030552 0.71 CA12 (0.56) SMPD3
SCHEMBL6936347 0.70 HTT (0.50) SMPD3
SCHEMBL10429139 0.69 SMPD3 (0.49) SMPD3NOX1
SCHEMBL6936535 0.68 KDM4E (0.56) SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4966855-A SUBSTITUTED OXAZOLES OR THIAZOLES, FOR DETECTING HYDROGEN PEROXIDE BOEHRINGER MANNHEIM GMBH (DE) 1990-10-30 US disclosed
EP-0167973-B1 REDOX INDICATORS Roche Diagnostics GmbH (DE) 1988-06-22 EP disclosed
EP-0167973-A1 Redox indicators Roche Diagnostics GmbH (DE) 1986-01-15 EP disclosed