SCHEMBL10065776

SCHEMBL10065776

CCCC1CCC2CC(COc3ccc(-c4ccc(CCc5ccc(OCC)c(F)c5F)cc4)cc3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL9925106 0.88 PPARD (0.38) SSTR5FFAR4KCNH2NPC1CASP3
SCHEMBL9924974 0.87 SSTR5 (0.37) SSTR5FFAR4KCNH2NPC1CASP3
SCHEMBL9924863 0.85 PPARG (0.35) SSTR5KCNH2FFAR1PPARD
SCHEMBL9924812 0.83 SSTR5 (0.35) SSTR5FFAR4KCNH2
SCHEMBL19188319 0.83 SSTR5 (0.33) SSTR5KCNH2NPC1CASP3RAB9A
SCHEMBL9924968 0.83 FFAR4 (0.39) SSTR5FFAR4KCNH2
SCHEMBL9924762 0.82 CTSL (0.34)
SCHEMBL9925181 0.81 PPARG (0.33) SSTR5KCNH2FFAR1PPARD
SCHEMBL10065874 0.81 CYP2C9 (0.32) RAB9A
SCHEMBL12032399 0.81 FFAR4 (0.38) SSTR5FFAR4KCNH2NPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468707-A1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC Corporation (JP) 2012-06-27 EP disclosed