SCHEMBL17039675

SCHEMBL17039675

CC(O)c1ccc(OCCOC(=O)C(C)(C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 5/20 0.39
ACACA Q13085 4/20 0.39
ELANE P08246 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL17032003 0.84 MEN1 (0.44) MEN1KMT2ATDP1ACACBACACA
SCHEMBL14135057 0.76 PLK1 (0.60) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16620120 0.75 TDP1 (0.55) MEN1KMT2ATDP1ACACBACACA
SCHEMBL9158811 0.74 CYP17A1 (0.40) MEN1KMT2ATDP1MAPK1MAPT
SCHEMBL18868408 0.74 L3MBTL1 (0.49) MEN1KMT2ATDP1GAA
SCHEMBL18477952 0.73 LTA4H (0.52) MEN1KMT2AACACBACACA
SCHEMBL31003208 0.73 ACACB (0.43) ACACBMAPT
SCHEMBL10668406 0.72 MEN1 (0.40) MEN1KMT2ATDP1MAPK1MAPT
SCHEMBL13706518 0.71 TDP1 (0.40) MEN1KMT2ATDP1PPARGPPARD
SCHEMBL28886897 0.71 LTA4H (0.53) MEN1KMT2AACACBACACA

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
WO-2015125495-A1 Reagent for Enhancing Generation of Chemical Species TOYO GOSEI CO., LTD. (JP) 2015-08-27 WO disclosed