SCHEMBL13586459

SCHEMBL13586459

CCc1ccc(-c2ccc(-c3ccc(C(=O)Oc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
MAPT P10636 2/20 0.33
FAAH O00519 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRF1 P14222 1/20 0.32
ADCY1 Q08828 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12822743 1.00 ALOX5AP (0.39) ALOX5APFEN1MAPTFAAHFFAR4
SCHEMBL13586137 0.93 MPL (0.38) ALOX5APFEN1MAPTFFAR4SMN1; SMN2
SCHEMBL13586414 0.93 MPL (0.38) ALOX5APFEN1MAPTFFAR4SMN1; SMN2
SCHEMBL12823166 0.91 ALOX5AP (0.36) ALOX5APFEN1MAPTFAAHFFAR4
SCHEMBL12823161 0.88 L3MBTL1 (0.42) ALOX5APFEN1MAPTKMT2AMEN1
SCHEMBL13586488 0.88 L3MBTL1 (0.42) ALOX5APFEN1MAPTKMT2AMEN1
SCHEMBL12822555 0.87 ALOX5AP (0.39) ALOX5APFEN1MAPT
SCHEMBL12823979 0.87 ALOX5AP (0.39) ALOX5APFEN1MAPT
SCHEMBL12823946 0.86 ALOX5AP (0.34) ALOX5APFEN1POLBALDH1A1
SCHEMBL12823420 0.86 ALOX5AP (0.34) ALOX5APFEN1POLBALDH1A1

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