SCHEMBL6452777

SCHEMBL6452777

CC=CCC[C@@H]1CC[C@@H]2CC(c3ccc(OC(F)(F)F)cc3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.35
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CHRM4 P08173 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6452782 1.00 EPHX2 (0.35) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL6452788 1.00 EPHX2 (0.35) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL5687253 0.95 EPHX2 (0.33) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL5687258 0.95 EPHX2 (0.33) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL6453170 0.87 EPHX2 (0.39) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL6453175 0.87 EPHX2 (0.39) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL6453371 0.86 EPHX2 (0.36) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL6453367 0.86 EPHX2 (0.36) EPHX2KDM1ARCOR1HRH3MEN1
SCHEMBL6455247 0.86 DRD2 (0.36) KDM1ASLC6A4SLC6A3
SCHEMBL6455248 0.86 DRD2 (0.36) KDM1ASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed