SCHEMBL21880103

SCHEMBL21880103

COCc1c(F)cc(CO)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.35
MYLK Q15746 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRKCG P05129 1/20 0.35
MAPT P10636 1/20 0.35
PRKCA P17252 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GCGR P47871 1/20 0.33
TAAR1 Q96RJ0 2/20 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
SCHEMBL21930390 0.86 PRKCE (0.38) PRKCEMYLKMEN1ALDH1A1PRKCG
SCHEMBL21880059 0.85 PRKCE (0.39) PRKCEMYLKMEN1ALDH1A1PRKCG
SCHEMBL14406583 0.83 TDP1 (0.33) PRKCEMYLKMEN1ALDH1A1PRKCG
SCHEMBL10706934 0.80 PRKCE (0.31) PRKCEMYLKMEN1ALDH1A1PRKCG
SCHEMBL522761 0.80 CBFB (0.33) TAAR1
SCHEMBL359266 0.73 GCGR (0.39) GCGR
SCHEMBL25368352 0.73 MAPT (0.42) MAPTTDP1PDE4APDE4BPDE4C
SCHEMBL28282895 0.73 TAAR1 (0.33) TAAR1
SCHEMBL25364956 0.71 PDE4A (0.32) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL10574556 0.71 MEN1 (0.30) PRKCEMYLKMEN1ALDH1A1PRKCG

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-2020084847-A1 ESTER COMPOUND AND USE THEREOF 住友化学株式会社 2020-04-30 WO disclosed