SCHEMBL11401705

SCHEMBL11401705

Cc1c(O)cccc1C1(c2cccc(O)c2C)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
TRPA1 O75762 2/20 0.43
ATM Q13315 1/20 0.43
HDAC4 P56524 3/20 0.41
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.38
PDE7A Q13946 1/20 0.35
PGR P06401 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL29993063 1.00 ESR1 (0.44) ESR1ESR2TRPA1ATMHDAC4
SCHEMBL31490381 0.81 ESR1 (0.46) ESR1ESR2HDAC4ACHE
SCHEMBL2640042 0.81 ESR1 (0.46) ESR1ESR2HDAC4ACHE
SCHEMBL379394 0.81 ESR1 (0.46) ESR1ESR2HDAC4ACHE
SCHEMBL8840942 0.80 ALDH1A1 (0.44) ESR1ESR2TRPA1HDAC4ACHE
SCHEMBL29415365 0.79 ESR1 (0.44) ESR1ESR2HDAC4
SCHEMBL444739 0.79 ESR1 (0.44) ESR1ESR2HDAC4
SCHEMBL9838331 0.77 ESR1 (0.43) ESR1ESR2HDAC4ACHE
SCHEMBL23581823 0.77 ACHE (0.48) ESR1ESR2TRPA1ATMHDAC4
SCHEMBL3183068 0.77 ESR1 (0.39) ESR1ESR2HDAC4PDE7APGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018096096-A1 A MULTICOLOUR LASER MARKING METHOD AGFA-GEVAERT N.V. (BE) 2018-05-31 WO disclosed
EP-3297837-A1 LASER MARKABLE COMPOSITIONS, ARTICLES AND DOCUMENTS Agfa-Gevaert (BE) 2018-03-28 EP disclosed
EP-3297839-A1 LASER MARKABLE COMPOSITIONS, MATERIALS AND DOCUMENTS Agfa-Gevaert (BE) 2018-03-28 EP disclosed
EP-3297838-A1 LASER MARKABLE MATERIALS AND DOCUMENTS Agfa-Gevaert (BE) 2018-03-28 EP disclosed
EP-3297840-A1 LASER MARKABLE COMPOSITIONS, ARTICLES AND DOCUMENTS Agfa-Gevaert (BE) 2018-03-28 EP disclosed
WO-2017157888-A1 PROCESS FOR MANUFACTURING A LASER MARKABLE PACKAGING AGFA-GEVAERT (BE) 2017-09-21 WO disclosed
WO-2017093228-A2 LASER MARKABLE COMPOSITIONS AND METHODS TO MANUFACTURE A PACKAGING THEREWITH AGFA-GEVAERT (BE) 2017-06-08 WO disclosed
WO-2016184878-A1 AQUEOUS INKJET INKS AGFA-GEVAERT (BE) 2016-11-24 WO disclosed
EP-0016167-A4 POLYCARBONATE COMPOSITIONS HAVING IMPROVED BARRIER PROPERTIES. GEN ELECTRIC (US) 1980-11-28 EP disclosed
EP-0016167-A1 POLYCARBONATE COMPOSITIONS HAVING IMPROVED BARRIER PROPERTIES. GEN ELECTRIC (US) 1980-10-01 EP disclosed
WO-1980000348-A1 POLYCARBONATE COMPOSITIONS HAVING IMPROVED BARRIER PROPERTIES GEN ELECTRIC (US) 1980-03-06 WO disclosed