SCHEMBL13586288

SCHEMBL13586288

C/C=C/C1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 7/20 0.34
▸ ALOX5AP P20292 5/20 0.34
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ HTR1A P08908 3/20 0.33
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ FPR2 P25090 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
SCHEMBL13586126 1.00 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740822 0.90 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12736253 0.90 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822798 0.89 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823565 0.89 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12821179 0.88 SLC6A2 (0.32) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586457 0.88 SLC6A2 (0.32) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL10152405 0.87 ALOX5AP (0.31) FEN1ALOX5AP
SCHEMBL12821296 0.86 FEN1 (0.37) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822361 0.86 FEN1 (0.37) FEN1ALOX5APSLC6A2SLC6A4SLC6A3

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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