SCHEMBL6656819

SCHEMBL6656819

O=C(O)C(=C(F)c1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.54
ALDH1A1 P00352 3/20 0.41
CES2 O00748 3/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
MAPK1 P28482 2/20 0.39
TRPA1 O75762 1/20 0.39
GSK3B P49841 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CA2 P00918 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL4783569 0.81 CES1 (0.56) CES1ALDH1A1CES2TSHRDAO
SCHEMBL466255 0.77 ALDH1A1 (0.50) CES1ALDH1A1CES2HPGDMAPT
SCHEMBL6206848 0.75 CES1 (0.48) CES1ALDH1A1CES2TSHRDAO
SCHEMBL6206843 0.75 CES1 (0.48) CES1ALDH1A1CES2TSHRDAO
SCHEMBL9631465 0.74 CES1 (0.44) CES1ALDH1A1CES2TSHRDAO
SCHEMBL10600199 0.73 CES1 (0.50) CES1ALDH1A1CES2TSHRDAO
SCHEMBL10600198 0.73 CES1 (0.50) CES1ALDH1A1CES2TSHRDAO
SCHEMBL4188899 0.73 CES1 (0.48) CES1ALDH1A1CES2TSHRDAO
SCHEMBL8724219 0.73 CES1 (0.48) CES1ALDH1A1CES2TSHRDAO
SCHEMBL14321616 0.73 CES1 (0.50) CES1ALDH1A1CES2TSHRDAO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004149458-A METHOD FOR PRODUCING FLUORO(TRIFLUOROMETHYL)CINNAMIC ACID CENTRAL GLASS CO LTD 2004-05-27 JP disclosed
WO-2004039760-A1 PROCESS FOR PRODUCTION OF FLUORO(TRIFLUOROMETHYL)- CINNAMIC ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2004-05-13 WO disclosed