SCHEMBL28288741

SCHEMBL28288741

CCCCOc1cc(O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
NR5A1 Q13285 1/20 0.49
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TYR P14679 2/20 0.44
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL17534028 0.91 LTA4H (0.46) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL18487563 0.86 LTA4H (0.49) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL19025067 0.83 HTT (0.49) LTA4HMAPTL3MBTL1ALDH1A1TSHR
SCHEMBL7544735 0.81 ESR1 (0.57) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL3995606 0.80 LTA4H (0.50) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL13191098 0.79 CYP4F2 (0.55) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL25797619 0.79 THRA (0.54) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL9641086 0.79 THRA (0.54) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL19025103 0.79 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL29742157 0.79 PGAM1 (0.45) LTA4HNR5A1MEN1MAPTKMT2A

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
CN-109652096-A Liquid-crystal compounds, liquid-crystal composition and liquid crystal display device 石家庄诚志永华显示材料有限公司 2019-04-19 CN disclosed