SCHEMBL19946342

SCHEMBL19946342

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PDE2A O00408 2/20 0.37
GSK3B P49841 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
UTS2R Q9UKP6 1/20 0.36
ACP3 P15309 1/20 0.36
FFAR1 O14842 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL19946345 0.82 EPHX1 (0.42) PDE2AAKR1C2
SCHEMBL29142736 0.79 UTS2R (0.43) KIF11CES2CES1UTS2RFFAR1
SCHEMBL2364380 0.79 KIF11 (0.47) KIF11CES2CES1PDE2AGSK3B
SCHEMBL19946338 0.74 PDE2A (0.64) PDE2A
SCHEMBL28364043 0.73 KIF11 (0.42) KIF11CES2CES1PDE2AAKR1C3
SCHEMBL28364047 0.73 KIF11 (0.42) KIF11CES2CES1PDE2AAKR1C3
SCHEMBL19517122 0.71 KCNN4 (0.39)
SCHEMBL20266626 0.71 PDE2A (0.49) KIF11CES2CES1PDE2AACP3
SCHEMBL18255589 0.71 PDE2A (0.49) KIF11CES2CES1PDE2AACP3
SCHEMBL5026454 0.70 PARP10 (0.34) KIF11

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
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed