SCHEMBL16618550

SCHEMBL16618550

C=C(OC(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.41
LMNA P02545 2/20 0.34
F2 P00734 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CES2 O00748 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
ATM Q13315 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 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
SCHEMBL20364486 0.77 TDP1 (0.44) LMNAF2TSHRALDH1A1ATM
SCHEMBL27630004 0.76 CES1 (0.44) CES1LMNAF2TSHRALDH1A1
SCHEMBL7146887 0.75 TDP1 (0.50) CES1LMNAF2TSHRALDH1A1
SCHEMBL31538079 0.73 CES1 (0.41) CES1LMNAF2TSHRALDH1A1
SCHEMBL219676 0.73 LMNA (0.56) CES1LMNAF2TSHRALDH1A1
SCHEMBL21841083 0.72 ALDH1A1 (0.47) CES1LMNATSHRALDH1A1ATM
SCHEMBL27852696 0.72 CES1 (0.39) CES1LMNATSHRALDH1A1CES2
SCHEMBL214249 0.72 LMNA (0.42) CES1LMNAF2TSHRALDH1A1
SCHEMBL28123902 0.71 LMNA (0.54) CES1LMNAF2TSHRALDH1A1
Hydrochloric Acid SCHEMBL6620902 0.71 LMNA (0.54) CES1LMNAF2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3128841-A1 USE OF SUBSTITUTED OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-02-15 EP disclosed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
CN-102459202-B As the inhibitor isoxazoline of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-11-25 CN disclosed
WO-2015155154-A1 USE OF SUBSTITUTED OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-10-15 WO disclosed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO disclosed
CN-102459202-A Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2012-05-16 CN disclosed