SCHEMBL4685591

SCHEMBL4685591

CN(C)CC(=O)OCc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
ALOX15 P16050 1/20 0.39
ABCC1 P33527 2/20 0.39
GAA P10253 1/20 0.39
MASP2 O00187 1/20 0.39

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
SCHEMBL4680106 0.85 FOLH1 (0.45) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL4683250 0.82 FOLH1 (0.43) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL11615588 0.79 TP53 (0.48) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL30873521 0.79 TP53 (0.54) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL292345 0.79 TP53 (0.54) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL14586581 0.78 ALDH1A1 (0.61) ALDH1A1
SCHEMBL8377212 0.78 ALDH1A1 (0.61) ALDH1A1
SCHEMBL38654957 0.78 ALDH1A1 (0.58) FOLH1TP53HTTMRGPRX4ALDH1A1
SCHEMBL2652361 0.78 ALDH1A1 (0.58) FOLH1TP53HTTMRGPRX4ALDH1A1
SCHEMBL8377215 0.78 ALDH1A1 (0.61) ALDH1A1

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-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP claimed