SCHEMBL7729943

SCHEMBL7729943

CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.36
EPHX2 P34913 7/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MCHR1 Q99705 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL7729936 1.00 PDE2A (0.36) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7729940 1.00 PDE2A (0.36) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7734834 0.97 PDE2A (0.38) PDE2AEPHX2MCHR1SLC7A5TRPV1
SCHEMBL7734839 0.97 PDE2A (0.38) PDE2AEPHX2MCHR1SLC7A5TRPV1
SCHEMBL7729334 0.93 ALDH1A1 (0.38) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7729337 0.93 ALDH1A1 (0.38) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7729343 0.93 ALDH1A1 (0.38) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7722800 0.91 EPHX2 (0.33) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7722807 0.91 EPHX2 (0.33) PDE2AEPHX2FFAR4MCHR1SLC7A5
SCHEMBL7722809 0.91 EPHX2 (0.33) PDE2AEPHX2FFAR4MCHR1SLC7A5

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed