SCHEMBL13586340

SCHEMBL13586340

CCOc1ccc(C2CCC(/C=C/c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CAMKK1 Q8N5S9 2/20 0.32
▸ CAMKK2 Q96RR4 2/20 0.32
▸ ACACB O00763 5/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ APP P05067 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ ACACA Q13085 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
SCHEMBL12823666 0.93 PTGS2 (0.36) PTGS2FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL14765855 0.92 FFAR4 (0.37) FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12716197 0.92 MEN1 (0.33) PTGS2FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12821130 0.91 MEN1 (0.33) MEN1KMT2AAPP
SCHEMBL12734337 0.89 FFAR4 (0.34) FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12822617 0.89 ACACB (0.32) ACACB
SCHEMBL12734340 0.89 FFAR4 (0.33) FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL13586337 0.89 LMNA (0.35) FFAR4FFAR1CAMKK1CAMKK2HTT
SCHEMBL12716432 0.89 FFAR4 (0.32) FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12734331 0.88 FFAR4 (0.33) FFAR4FFAR1CAMKK1CAMKK2

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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