Sugi Predict

Sugi Predict / Compounds / SCHEMBL6452223

SCHEMBL6452223

SCHEMBL6452223

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.34
▸ IDO1 P14902 1/20 0.31
▸ APP P05067 1/20 0.31
▸ MAT2A P31153 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RARB P10826 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
SCHEMBL6452225 1.00 FASN (0.34) FASNIDO1APPMAT2ARAB9A
SCHEMBL6459197 0.99 FASN (0.33) FASNIDO1APPMAT2ARARB
SCHEMBL6458155 0.99 FASN (0.33) FASNIDO1APPMAT2ARARB
SCHEMBL6459200 0.99 FASN (0.33) FASNIDO1APPMAT2ARARB
SCHEMBL6458159 0.99 FASN (0.33) FASNIDO1APPMAT2ARARB
SCHEMBL6458461 0.97 FASN (0.34) FASNIDO1APPMAT2ARAB9A
SCHEMBL6458456 0.97 FASN (0.34) FASNIDO1APPMAT2ARAB9A
SCHEMBL6452694 0.93 FASN (0.35) FASNIDO1APPMAT2A
SCHEMBL6452699 0.93 FASN (0.35) FASNIDO1APPMAT2A
SCHEMBL6452801 0.89 FASN (0.37) FASNAPPRAB9ARARB

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