SCHEMBL5084947

SCHEMBL5084947

O=C(O)C(O)c1ccc(F)c(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.65
CES1 P23141 10/20 0.65
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN7 P35236 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23973483 0.82 CES2 (0.46) CES2CES1LMNAMAPK1
SCHEMBL1668558 0.82 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL1668559 0.82 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL31407025 0.82 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL23972274 0.82 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL7963208 0.82 CES2 (0.44) CES2CES1LMNAMAPK1POLB
SCHEMBL31407017 0.82 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL8013319 0.81 CES2 (0.52) CES2CES1ALDH1A1
SCHEMBL23972666 0.79 PPARG (0.46) CES2CES1KMT2A
SCHEMBL195340 0.78 CES2 (0.49) CES2CES1LMNAKMT2A

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-2008078350-A2 PROCESS FOR THE PREPARATION OF FLUOROPHENYLACETIC ACIDS AND DERIVATIVES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-07-03 WO disclosed