SCHEMBL1414552

SCHEMBL1414552

CC(c1ccc(F)cc1Cl)C(O)(c1ccc(OC(=O)O)nc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PDE2A O00408 1/20 0.33
LIPE Q05469 6/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
JAK2 O60674 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.32
SCN9A Q15858 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
SCHEMBL1414852 0.86 DPP4 (0.34) DPP4DPP7PDE2AAR
SCHEMBL836935 0.84 P4HTM (0.37)
SCHEMBL836784 0.82 PDE2A (0.39) DPP4DPP7PDE2AJAK2AR
SCHEMBL15789710 0.80 DGAT1 (0.33)
SCHEMBL15520845 0.79 GRIN2B (0.32)
SCHEMBL15789731 0.78 ACACB (0.34) LIPE
SCHEMBL837193 0.78 RECQL (0.39) PDE2AKMT2AMEN1AR
SCHEMBL480536 0.78 BDKRB1 (0.37) KMT2AMEN1OXTRAVPR1ASCN9A
SCHEMBL732586 0.77 MEN1 (0.41) PDE2ALIPEKMT2AMEN1OXTR
SCHEMBL15520676 0.76 GPR55 (0.41)

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-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed