SCHEMBL13586415

SCHEMBL13586415

CC(O)C1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 6/20 0.34
▸ ALOX5AP P20292 4/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.32
▸ FFAR4 Q5NUL3 5/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ F10 P00742 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
SCHEMBL13586453 0.91 FPR2 (0.32) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822960 0.88 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12821293 0.88 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586452 0.88 NAAA (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586371 0.88 SLC6A2 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823899 0.86 SLC6A2 (0.33) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822936 0.85 ALOX5AP (0.35) FEN1ALOX5APFPR2
SCHEMBL13586457 0.85 SLC6A2 (0.32) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586433 0.85 SLC6A2 (0.33) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586409 0.84 S1PR5 (0.35) FFAR1S1PR5FFAR4

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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