Sugi Predict

Sugi Predict / Compounds / SCHEMBL6458713

SCHEMBL6458713

SCHEMBL6458713

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.36
▸ KDM1A O60341 2/20 0.34
▸ PDE2A O00408 8/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 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
SCHEMBL6458718 1.00 EPHX2 (0.36) EPHX2KDM1APDE2ASLC6A2SLC6A4
SCHEMBL6455021 0.88 KDM1A (0.34) EPHX2KDM1APDE2A
SCHEMBL6455016 0.88 KDM1A (0.34) EPHX2KDM1APDE2A
SCHEMBL7858794 0.87 EPHX2 (0.40) EPHX2PDE2A
SCHEMBL7911061 0.86 KDM1A (0.48) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL7911058 0.86 KDM1A (0.48) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6458935 0.86 KDM1A (0.35) EPHX2KDM1APDE2ASLC6A2SLC6A4
SCHEMBL6458945 0.86 KDM1A (0.35) EPHX2KDM1APDE2ASLC6A2SLC6A4
SCHEMBL6458941 0.86 KDM1A (0.35) EPHX2KDM1APDE2ASLC6A2SLC6A4
SCHEMBL6456210 0.84 — —

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