SCHEMBL4074535

SCHEMBL4074535

C=C(C)C(=O)c1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.68
CES1 P23141 4/20 0.68
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
BCHE P06276 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.44
PTPN1 P18031 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL10533216 0.84 ALDH1A1 (0.43) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL27807409 0.83 CES2 (0.74) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2156696 0.82 CES2 (1.00) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL27919030 0.79 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL8698440 0.79 CES2 (0.61) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL8864751 0.78 ALDH1A1 (0.40) CES2CES1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL6862472 0.78 CES2 (0.52) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL13461 0.78 CES2 (0.65) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL29593208 0.78 CES2 (0.65) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30820836 0.78 CES2 (0.52) CES2CES1ALDH1A1ALOX15GAA

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-2009048152-A2 UNSATURATED IMINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-16 WO disclosed