SCHEMBL28460741

SCHEMBL28460741

COC(CCCOc1c(F)cccc1-c1ccccc1)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.39
SCN8A Q9UQD0 3/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
LTB4R Q15722 2/20 0.38
CTSA P10619 1/20 0.36
TP53 P04637 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRB2 P07550 1/20 0.34
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
MDM2 Q00987 1/20 0.34
GCK P35557 1/20 0.33
HTR7 P34969 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL29997186 0.81 SCN8A (0.42) FFAR4SCN8ATP53MAPK1RAB9A
SCHEMBL28172038 0.80 ALOX5AP (0.40) SCN8AALOX5APFEN1TP53MAPK1
SCHEMBL29997699 0.76 ALDH1A1 (0.43) SCN8ACTSATP53MAPK1RAB9A
SCHEMBL6607015 0.73 ALOX5AP (0.45) FFAR4ALOX5APFEN1CTSAGCK
SCHEMBL29353186 0.73 ALOX5AP (0.45) FFAR4ALOX5APFEN1CTSAGCK
SCHEMBL28460740 0.73 FYN (0.43) ALOX5APFEN1TP53MAPK1RAB9A
SCHEMBL28459156 0.69 USP2 (0.36) FFAR4SCN8ALTB4RTP53MAPK1
SCHEMBL13251249 0.69 SCN8A (0.39) FFAR4SCN8ATDP1L3MBTL1
SCHEMBL14318446 0.67 ADRB2 (0.45) FFAR4SCN8ATP53MAPK1RAB9A
SCHEMBL4254195 0.66 ALDH1A1 (0.56) SCN8ATP53MAPK1RAB9ATDP1

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-107108541-B Method for producing butyrolactone compound 日产化学工业株式会社 2020-06-19 CN disclosed