SCHEMBL13586122

SCHEMBL13586122

CC(O)c1ccc(-c2ccc(OCC3CCC(c4ccc(C5CO5)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.35
▸ FEN1 P39748 4/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ CNR2 P34972 7/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ FFAR1 O14842 2/20 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
SCHEMBL12823880 0.90 CNR2 (0.36) FPR2FEN1ALOX5APCNR2ACACB
SCHEMBL12821878 0.90 CNR2 (0.36) FPR2FEN1ALOX5APCNR2ACACB
SCHEMBL12716540 0.89 PDE4B (0.33) FPR2FEN1ALOX5APCNR2PDE4B
SCHEMBL12821168 0.89 PDE4B (0.33) FPR2FEN1ALOX5APCNR2PDE4B
SCHEMBL12823883 0.88 FPR2 (0.36) FPR2FEN1ALOX5APCNR2PDE4B
SCHEMBL13586561 0.88 FPR2 (0.34) FPR2FEN1ALOX5APCNR2PDE4B
SCHEMBL12717094 0.88 FPR2 (0.36) FPR2CNR2PDE4BACACBFFAR1
SCHEMBL12823834 0.88 PDE4D (0.34) FPR2FEN1ALOX5APCNR2CNR1
SCHEMBL12717146 0.88 PDE4D (0.34) FPR2FEN1ALOX5APCNR2CNR1
SCHEMBL12716671 0.87 FPR2 (0.35) FPR2FEN1ALOX5APCNR2

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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