SCHEMBL6453371

SCHEMBL6453371

C=CCCC1CCC2CC(c3ccc(OC(F)(F)F)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
TEAD1 P28347 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.31
SLC6A4 P31645 1/20 0.30
F2R P25116 1/20 0.30
EPHX1 P07099 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
SCHEMBL6453367 1.00 EPHX2 (0.36) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL5683503 0.94 EPHX2 (0.34) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL5683511 0.94 EPHX2 (0.34) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL13433664 0.90 L3MBTL1 (0.37) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL6453175 0.89 EPHX2 (0.39) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL6453170 0.89 EPHX2 (0.39) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL6452788 0.86 EPHX2 (0.35) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL6452777 0.86 EPHX2 (0.35) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL6452782 0.86 EPHX2 (0.35) EPHX2L3MBTL1KDM1AHRH3RCOR1
SCHEMBL6451784 0.84 CYP2C9 (0.42) EPHX2L3MBTL1KDM1AHRH3RCOR1

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