SCHEMBL8223282

SCHEMBL8223282

CC(O)(C(=O)O)C(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
NPC1 O15118 2/20 0.39
PTPN1 P18031 1/20 0.39
RAB9A P51151 1/20 0.39
HTR7 P34969 1/20 0.39
MAPT P10636 1/20 0.39
PLOD2 O00469 1/20 0.39
LTA4H P09960 1/20 0.38
MITF O75030 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4967698 0.81 CES1 (0.52) CES1CES2CA2CA1MAPT
SCHEMBL14889092 0.81 CES1 (0.52) CES1CES2CA2CA1MAPT
SCHEMBL28419945 0.81 CES1 (0.52) CES1CES2BCL2L1BADCA2
SCHEMBL5466629 0.81 CES2 (0.52) CES1CES2BCL2L1BADCA2
SCHEMBL14889160 0.80 ALOX15 (0.50) CES1CES2CA2CA1NPC1
SCHEMBL9420249 0.80 LMNA (0.40) CA2NPC1RAB9AMAPTCYP1A2
SCHEMBL14889163 0.80 ALOX15 (0.50) CES1CES2CA2CA1NPC1
SCHEMBL9859948 0.79 CES1 (0.50) CES1CES2BCL2L1BADCA2
SCHEMBL2625487 0.79 CES2 (0.54) CES1CES2BCL2L1BADCA2
SCHEMBL1716676 0.78 CES1 (0.45) CES1CES2BCL2L1BADCA2

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
JP-2011016841-A PROCESS FOR SYNTHESIZING AZETIDINONE SCHERING CORP 2011-01-27 JP disclosed