SCHEMBL22748403

SCHEMBL22748403

CCCCCCCc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.48
LPL P06858 7/20 0.48
ALOX5 P09917 4/20 0.36
ROCK1 Q13464 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPHK2 Q9NRA0 1/20 0.33
PTGS2 P35354 3/20 0.30

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
SCHEMBL18025836 0.82 LIPG (0.55) LIPGLPLALOX5MEN1TP53
SCHEMBL12234041 0.82 LIPG (0.55) LIPGLPLALOX5MEN1TP53
SCHEMBL1336781 0.82 LIPG (0.55) LIPGLPLALOX5MEN1TP53
SCHEMBL17525546 0.80 ROCK1 (0.38) LIPGLPLROCK1
SCHEMBL22748822 0.79 LPL (0.61) LIPGLPLTP53CYP3A4SPHK2
SCHEMBL22748247 0.79 LPL (0.61) LIPGLPLTP53CYP3A4PTGS2
SCHEMBL22748365 0.78 LIPG (0.52) LIPGLPLALOX5ROCK1MEN1
SCHEMBL22748290 0.78 LPL (0.40) LIPGLPLROCK1
SCHEMBL1646761 0.78 LPL (0.44) LIPGLPLROCK1
SCHEMBL17165827 0.77 ROCK1 (0.36) LIPGLPLROCK1

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-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed