SCHEMBL6455016

SCHEMBL6455016

C=C[C@@H]1CC[C@@H]2CC(c3ccc(OC(F)(F)F)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
EPHX2 P34913 4/20 0.33
PDE2A O00408 7/20 0.32
CTSK P43235 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL6455021 1.00 KDM1A (0.34) KDM1AEPHX2PDE2ACTSKNAAA
SCHEMBL23666201 0.89 EPHX2 (0.35) KDM1AEPHX2PDE2A
SCHEMBL6458718 0.88 EPHX2 (0.36) KDM1AEPHX2PDE2A
SCHEMBL6458713 0.88 EPHX2 (0.36) KDM1AEPHX2PDE2A
SCHEMBL12975898 0.88 EPHX2 (0.35) KDM1AEPHX2PDE2A
SCHEMBL6464964 0.86 KDM1A (0.48) KDM1A
SCHEMBL6464967 0.86 KDM1A (0.48) KDM1A
SCHEMBL6458941 0.86 KDM1A (0.35) KDM1AEPHX2PDE2ACTSKNAAA
SCHEMBL6458935 0.86 KDM1A (0.35) KDM1AEPHX2PDE2ACTSKNAAA
SCHEMBL6458945 0.86 KDM1A (0.35) KDM1AEPHX2PDE2ACTSKNAAA

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