SCHEMBL1486280

SCHEMBL1486280

CCC[C@H](C)OC(=O)/C(C)=C/C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.40
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CHRM1 P11229 2/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
TBXA2R P21731 1/20 0.31
CYP3A4 P08684 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
SCHEMBL1486282 1.00 FAAH (0.40) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL433466 0.92 FAAH (0.36) FAAHCNR1CNR2
SCHEMBL7963183 0.86 FAAH (0.45) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL28784725 0.84 FAAH (0.37) FAAHCNR1CNR2TSHR
SCHEMBL7752601 0.83 FAAH (0.39) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL30045043 0.83 FAAH (0.39) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL27790605 0.79 FAAH (0.36) FAAHCNR1CNR2
SCHEMBL9820481 0.76 ALDH1A1 (0.42) NPSR1
SCHEMBL868240 0.76 FAAH (0.39) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL437295 0.76 TSHR (0.45) FAAHCNR1CNR2CHRM1AKR1A1

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
US-20110072711-A1 AMPOULE FOR THE STORAGE AND DISPERSION OF VOLATILE LIQUIDS FMC CORPORATION (US) 2011-03-31 US disclosed