SCHEMBL13586362

SCHEMBL13586362

CCCC(O)c1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ ACACB O00763 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PPARD Q03181 1/20 0.34

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
SCHEMBL12719403 0.90 ALDH1A1 (0.35) FAAHTAS1R3TAS1R1MAPTTHRB
SCHEMBL13586234 0.89 PTGS2 (0.40) FAAHACACBMAPTTHRBPTGS2
SCHEMBL12823097 0.89 THRA (0.33) FAAHTAS1R3TAS1R1ACACBMAPT
SCHEMBL12821297 0.89 FAAH (0.42) FAAHTAS1R3TAS1R1MAPTTHRB
SCHEMBL12823722 0.89 MAPT (0.40) FAAHTAS1R3TAS1R1MAPTTHRB
SCHEMBL12823214 0.88 MAPT (0.39) FAAHACACBMAPTTHRBPTGS2
SCHEMBL12823113 0.87 ANPEP (0.37) TAS1R3TAS1R1
SCHEMBL14767151 0.87 KMT2A (0.45) MAPTTHRBKCNQ3KCNQ2KMT2A
SCHEMBL12822091 0.86 FAAH (0.36) FAAHTAS1R3TAS1R1MAPTTHRB
SCHEMBL12823199 0.85 MEN1 (0.37) FAAHACACBMAPTTHRBPTGS2

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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