SCHEMBL11519082

SCHEMBL11519082

CC(=O)CC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
KDR P35968 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN9A Q15858 4/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.43
PDK1 Q15118 1/20 0.43
CDK8 P49336 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
NOTUM Q6P988 2/20 0.41
MEN1 O00255 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
SCHEMBL17355656 0.87 PPARG (0.47) PPARGPPARAKDRCA1CA2
SCHEMBL27694558 0.85 PPARG (0.50) PPARGPPARAKDRCA1CA2
SCHEMBL17352143 0.85 PPARG (0.52) PPARGPPARAKDRCA1CA2
SCHEMBL17355660 0.85 PPARG (0.45) PPARGPPARAKDRCA1CA2
SCHEMBL17355662 0.84 HTR2A (0.42) CDK8
SCHEMBL14219174 0.84 PPARG (0.51) PPARGPPARAKDRCA1CA2
SCHEMBL17352148 0.83 PPARG (0.50) PPARGPPARAKDRCA1CA2
SCHEMBL7783743 0.83 EPHX2 (0.46) PPARG
SCHEMBL17352127 0.82 PPARG (0.50) PPARGPPARAKDRCA1CA2
SCHEMBL17355658 0.81 PPARG (0.48) PPARGPPARAKDRCA1CA2

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
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed