SCHEMBL15933353

SCHEMBL15933353

CCCCCCCCCN(CCCCCCCCC)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.46
ADH1C P00326 3/20 0.46
ADH4 P08319 1/20 0.46
GBA1 P04062 1/20 0.44
CYP1A2 P05177 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
DNM1 Q05193 3/20 0.41
SIGMAR1 Q99720 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NAAA Q02083 2/20 0.38
EPHX1 P07099 1/20 0.36

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
SCHEMBL6061615 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL614228 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL1276101 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL9551162 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL10893408 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL11858600 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL8510028 1.00 ADH1A (0.46) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL11518464 0.98 CYP1A2 (0.45) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL28204469 0.98 ADH1A (0.44) ADH1AADH1CADH4GBA1CYP1A2
SCHEMBL9551192 0.98 ADH1A (0.44) ADH1AADH1CADH4GBA1CYP1A2

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-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
WO-2014118038-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK INDUSTRIES AG (DE) 2014-08-07 WO disclosed