SCHEMBL8730397

SCHEMBL8730397

CC=CCOCc1ccc(C2CCC(CCCCc3ccc(C=CC)cc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.38
SPHK2 Q9NRA0 7/20 0.34
ESR2 Q92731 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL8730401 1.00 SPHK1 (0.38) SPHK1SPHK2ESR2FFAR4DRD2
SCHEMBL8730388 1.00 SPHK1 (0.38) SPHK1SPHK2ESR2FFAR4DRD2
SCHEMBL8730391 1.00 SPHK1 (0.38) SPHK1SPHK2ESR2FFAR4DRD2
SCHEMBL8732178 0.89 HTR2A (0.36) SPHK1ESR2HTR2AHTR2CHTR2B
SCHEMBL8732177 0.89 HTR2A (0.36) SPHK1ESR2HTR2AHTR2CHTR2B
SCHEMBL8732182 0.89 HTR2A (0.36) SPHK1ESR2HTR2AHTR2CHTR2B
SCHEMBL8732183 0.89 HTR2A (0.36) SPHK1ESR2HTR2AHTR2CHTR2B
SCHEMBL8730970 0.85 SIGMAR1 (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8730985 0.85 SIGMAR1 (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8730981 0.85 SIGMAR1 (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed