SCHEMBL9697586

SCHEMBL9697586

CCCCCCC(C)OC[CH]C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DNM1 Q05193 1/20 0.30
SMPD1 P17405 1/20 0.30

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
SCHEMBL9698721 0.98 OPRM1 (0.34) FAAHADH1BADH1CADH1AADH4
SCHEMBL9699884 0.93
SCHEMBL9697694 0.85
SCHEMBL9699183 0.83 FAAH (0.33) FAAHADH1BADH1CADH1AADH4
SCHEMBL9698689 0.81 OPRM1 (0.34) FAAHADH1BADH1CADH1AADH4
SCHEMBL9698659 0.81 OPRM1 (0.32) FAAHADH1BADH1CADH1AADH4
SCHEMBL9698682 0.79 OPRM1 (0.35) FAAHCNR1CNR2OPRM1ALDH1A1
SCHEMBL9698547 0.77
SCHEMBL11672964 0.76 TSHR (0.42) FAAHADH1BADH1CADH1AADH4
SCHEMBL15442569 0.76 TSHR (0.42) FAAHADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed