SCHEMBL13586452

SCHEMBL13586452

COC1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.35
▸ FEN1 P39748 6/20 0.35
▸ ALOX5AP P20292 5/20 0.35
▸ FPR2 P25090 5/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ S1PR5 Q9H228 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL12717271 0.94 SLC6A2 (0.34) NAAAFEN1ALOX5APFPR2SLC6A2
SCHEMBL13586371 0.89 SLC6A2 (0.34) FEN1ALOX5APFPR2SLC6A2SLC6A4
SCHEMBL12821296 0.89 FEN1 (0.37) NAAAFEN1ALOX5APFPR2SLC6A2
SCHEMBL12822361 0.89 FEN1 (0.37) NAAAFEN1ALOX5APFPR2SLC6A2
SCHEMBL13586415 0.88 FEN1 (0.34) FEN1ALOX5APFPR2SLC6A2SLC6A4
SCHEMBL12823899 0.88 SLC6A2 (0.33) FEN1ALOX5APFPR2SLC6A2SLC6A4
SCHEMBL13586457 0.87 SLC6A2 (0.32) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586433 0.86 SLC6A2 (0.33) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823904 0.85 FFAR1 (0.41) NAAAFEN1ALOX5APSLC6A2SLC6A4
SCHEMBL12718741 0.84 FFAR4 (0.35) —

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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