SCHEMBL28669809

SCHEMBL28669809

CCc1c(O)cccc1OCCCCCCCl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.45
CNR2 P34972 7/20 0.45
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
JAK2 O60674 1/20 0.42
GAA P10253 1/20 0.42
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL17318047 0.89 CNR1 (0.55) CNR1CNR2LMNAMAPTPTPN1
SCHEMBL8939441 0.85 CYP1A2 (0.49) CNR1CNR2LMNAMAPTJAK2
SCHEMBL11776675 0.79 MAPT (0.44) LMNAMAPTJAK2GAAMEN1
SCHEMBL9150153 0.79 GAA (0.67) LMNAMAPTJAK2GAAMEN1
SCHEMBL8936709 0.77 CNR1 (0.67) CNR1CNR2LMNAMAPTMEN1
SCHEMBL10345471 0.77 CNR1 (0.67) CNR1CNR2LMNAMAPTMEN1
SCHEMBL1957159 0.77 CNR1 (0.67) CNR1CNR2LMNAMAPTMEN1
SCHEMBL10678890 0.76 L3MBTL1 (0.43) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL11536830 0.76 LTB4R (0.54) MAPT
Alcohol SCHEMBL1545296 0.74 GAA (0.64) LMNAMAPTJAK2GAA

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
CN-113544245-A Biochemical production of sandalwood oil 弗门尼舍有限公司 2021-10-22 CN disclosed