SCHEMBL13064844

SCHEMBL13064844

CCC(C)(COC(=O)c1ccccc1)COC(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
CYP2D6 P10635 2/20 0.54
HTR1A P08908 1/20 0.54
SCN1A P35498 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL570797 0.92 MAPK1 (0.65) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL12930110 0.88 MAPK1 (0.69) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL12930112 0.88 MAPK1 (0.69) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL18725038 0.87 ADRB2 (0.53) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL15024550 0.86 MAPK1 (0.57) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL14076144 0.84 MAPK1 (0.59) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL16046385 0.84 MAPK1 (0.54) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL2020359 0.84 MAPK1 (0.71) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL11987180 0.82 MAPK1 (0.59) NPC1RAB9AMAPK1HIF1ATDP1
SCHEMBL25950226 0.81 PDK1 (0.41) NPC1RAB9AMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248850-B1 CELLULOSE RESIN COMPOSITION AND CELLULOSE RESIN FILM ADEKA CORP (JP) 2017-04-12 EP disclosed
EP-2248850-A1 CELLULOSE RESIN COMPOSITION AND CELLULOSE RESIN FILM Adeka Corporation (JP) 2010-11-10 EP disclosed