SCHEMBL13586256

SCHEMBL13586256

CCOc1ccc(CCC2CCC(c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
FAAH O00519 1/20 0.33
FPR2 P25090 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
SLC5A2 P31639 2/20 0.31
CCR5 P51681 2/20 0.31
ACACB O00763 1/20 0.31
KDM1A O60341 2/20 0.31
SLC5A1 P13866 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL12822422 0.91 FFAR4 (0.35) FFAR4FAAHFPR2PTGDR2CCR5
SCHEMBL12739862 0.90 FFAR4 (0.39) FFAR4FPR2PTGDR2KDM1APPARD
SCHEMBL12718465 0.90 ALDH1A1 (0.31)
SCHEMBL12739850 0.89 FFAR4 (0.38) FFAR4FPR2PTGDR2SLC5A2KDM1A
SCHEMBL12822846 0.88 KCNH2 (0.31)
SCHEMBL14766847 0.88 FFAR4 (0.38) FFAR4FPR2KDM1APPARDPPARA
SCHEMBL12739863 0.88 FFAR4 (0.38) FFAR4FPR2PTGDR2KDM1AHCRTR1
SCHEMBL12739852 0.88 FFAR4 (0.39) FFAR4FPR2PTGDR2KDM1APPARD
SCHEMBL12739856 0.87 FFAR4 (0.35) FFAR4FPR2PTGDR2KDM1APPARD
SCHEMBL12822593 0.86 FPR2 (0.31) FFAR4PTGS2PTGS1FPR2

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