SCHEMBL13006183

SCHEMBL13006183

CCCCCC(CC)C(CN)CCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
OPRM1 P35372 1/20 0.42
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SPHK1 Q9NYA1 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
SCHEMBL27842225 0.95 ALDH1A1 (0.44) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL8349912 0.93 ALDH1A1 (0.46) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL20254523 0.93 ALDH1A1 (0.46) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL23776318 0.91 DNM1 (0.44) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL12094790 0.91 ALDH1A1 (0.44) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL7761889 0.88 ALDH1A1 (0.46) ALDH1A1TDP1OPRM1DNM1MEN1
Hydrochloric Acid SCHEMBL10967044 0.86 DNM1 (0.46) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL10887402 0.86 ALDH1A1 (0.44) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL13594455 0.84 OPRM1 (0.46) ALDH1A1TDP1OPRM1DNM1MEN1
SCHEMBL3972704 0.84 OPRM1 (0.46) ALDH1A1TDP1OPRM1DNM1MEN1

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
EP-1753710-B1 PROCESS FOR FORMING BRANCHED COMPOSITION CATALYTICALLY BY CARBON-HYDROGEN BOND ACTIVATION IN A SATURATED MOIETY AKZO NOBEL NV (NL) 2010-12-22 EP disclosed
US-7227040-B2 Process for forming branched composition catalytically by carbon-hydrogen bond activation in a saturated moiety AKZO NOBEL N.V. (NL) 2007-06-05 US disclosed
US-7227040-B2 Process for forming branched composition catalytically by carbon-hydrogen bond activation in a saturated moiety AKZO NOBEL N.V. (NL) 2007-06-05 US disclosed