SCHEMBL9850858

SCHEMBL9850858

CCCCCCC(C)OCCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.34
CES2 O00748 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL9850811 0.98 FAAH (0.36) FAAHCNR1CNR2OPRM1CES2
SCHEMBL9850737 0.92 EPHX2 (0.33) FAAH
SCHEMBL9850833 0.91 FAAH (0.37) FAAHCNR1CNR2OPRM1CES2
SCHEMBL9850832 0.89 FAAH (0.35) FAAHCNR1CNR2OPRM1CES2
SCHEMBL9850607 0.87 DNM1 (0.35) FAAHCNR1CNR2OPRM1CES2
SCHEMBL9850829 0.84
SCHEMBL9850845 0.83 EPHX2 (0.35)
SCHEMBL9850732 0.81 EPHX2 (0.36) CES2CES1DNM1
SCHEMBL30825390 0.81 FAAH (0.40) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL24482921 0.80 FAAH (0.38) FAAHCNR1CNR2SPHK1LMNA

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-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed