SCHEMBL10596142

SCHEMBL10596142

CCCCCCC(C)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.56
CNR2 P34972 15/20 0.44
NUDT1 P36639 1/20 0.43
BACE1 P56817 1/20 0.43
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7735526 0.88 CNR1 (0.64) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL4060197 0.84 NUDT1 (0.49) CNR1CNR2NUDT1BACE1HSP90AA1
SCHEMBL21232295 0.82 ESR1 (0.43) CNR1CNR2NUDT1BACE1HSP90AA1
SCHEMBL2913464 0.81 NUDT1 (0.44) CNR1NUDT1BACE1HSP90AA1ALDH1A1
SCHEMBL27780548 0.80 CNR1 (0.70) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL25898455 0.80 NUDT1 (0.52) CNR1NUDT1BACE1HSP90AA1ALDH1A1
SCHEMBL8462541 0.78 ESR1 (0.51) CNR1CNR2NUDT1BACE1HSP90AA1
SCHEMBL68186 0.77 NUDT1 (0.50) CNR1NUDT1BACE1HSP90AA1ALDH1A1
SCHEMBL29368513 0.77 NUDT1 (0.50) CNR1NUDT1BACE1HSP90AA1ALDH1A1
SCHEMBL3133679 0.77 CYP2D6 (0.54) CNR1NUDT1BACE1HSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329991-A1 Aromatic polycarbonate film IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-08-30 EP disclosed