SCHEMBL13586170

SCHEMBL13586170

CCCC(O)c1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ FAAH O00519 3/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ RET P07949 1/20 0.31
▸ PPARG P37231 3/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ CHKA P35790 1/20 0.31
▸ PPARD Q03181 2/20 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
SCHEMBL12717002 1.00 FFAR4 (0.35) FFAR4MEN1KMT2AFAAHCTSL
SCHEMBL12717057 0.92 RARB (0.35) CTSLCTSSCTSKS1PR1PPARG
SCHEMBL10302992 0.91 FFAR4 (0.35) FFAR4FAAHCTSLCTSSCTSK
SCHEMBL10303036 0.91 FFAR4 (0.35) FFAR4MEN1KMT2AFAAHGABRA1
SCHEMBL12719036 0.88 GABRA1 (0.33) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12716513 0.88 GABRA1 (0.33) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12719242 0.88 CNR2 (0.35) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12821360 0.88 CNR2 (0.35) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12822689 0.88 FFAR4 (0.36) FFAR4MEN1KMT2AFAAHCTSL
SCHEMBL12821270 0.88 FFAR4 (0.36) FFAR4MEN1KMT2AFAAHCTSL

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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