SCHEMBL5696277

SCHEMBL5696277

CCCCCCCCCCCCCCCCCCOc1c2ccccc2cc2cccc(CO)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MTNR1A P48039 2/20 0.41
CYP2C9 P11712 1/20 0.41
TLR8 Q9NR97 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL27603617 0.84 CNR1 (0.41) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL28698562 0.84 CNR1 (0.47) CNR1CNR2CYP2C9TLR8HDAC6
Methyl Alcohol SCHEMBL5696273 0.83 SLC2A1 (0.47) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL23089944 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL29368730 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL23089961 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL29371854 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL23089946 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL23271667 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8
SCHEMBL3999665 0.83 TLR8 (0.48) SLC2A1CNR1CNR2CYP2C9TLR8

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
US-20060207935-A1 Methods and device for substance separation using compatible multiphase solvent system TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO., LTD. (JP) 2006-09-21 US disclosed
EP-1666114-A1 METHOD AND DEVICE FOR SUBSTANCE SEPARATION USING COMPATIBLE MULTIPHASE SOLVENT SYSTEM Tokyo University of Agriculture and Technology Tlo Co., Ltd. (JP) 2006-06-07 EP disclosed