SCHEMBL13586457

SCHEMBL13586457

C/C=C/C1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ALOX5AP P20292 4/20 0.32
▸ FEN1 P39748 4/20 0.32
▸ HTR6 P50406 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
SCHEMBL12821179 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL13586433 0.90 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL13586288 0.88 FEN1 (0.34) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL13586126 0.88 FEN1 (0.34) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL13586452 0.87 NAAA (0.35) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL13586371 0.87 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL12823899 0.85 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL13586415 0.85 FEN1 (0.34) SLC6A2SLC6A4SLC6A3HTR1AALOX5AP
SCHEMBL12823993 0.85 ALOX5AP (0.34) ALOX5APFEN1
SCHEMBL12823843 0.84 FFAR4 (0.36) ALOX5APFEN1

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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