SCHEMBL12717057

SCHEMBL12717057

CCCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ S1PR1 P21453 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PTPN11 Q06124 3/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ MPL P40238 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL12717002 0.92 FFAR4 (0.35) S1PR1CTSLCTSSCTSKPPARG
SCHEMBL13586170 0.92 FFAR4 (0.35) S1PR1CTSLCTSSCTSKPPARG
SCHEMBL12719242 0.91 CNR2 (0.35) CNR2CNR1CTSLCTSSCTSK
SCHEMBL12821360 0.91 CNR2 (0.35) CNR2CNR1CTSLCTSSCTSK
SCHEMBL12716513 0.89 GABRA1 (0.33) CNR2CNR1CTSLCTSSCTSK
SCHEMBL12719036 0.89 GABRA1 (0.33) CNR2CNR1CTSLCTSSCTSK
SCHEMBL12740107 0.84 MAPT (0.40) RARBCNR2S1PR1CNR1PTPN11
SCHEMBL12735579 0.84 MAPT (0.40) RARBCNR2S1PR1CNR1PTPN11
SCHEMBL12821558 0.84 S1PR1 (0.38) RARBADRB1ADRB3CNR2S1PR1
SCHEMBL10302992 0.83 FFAR4 (0.35) S1PR1CTSLCTSSCTSKPPARG

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-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
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