SCHEMBL9824533

SCHEMBL9824533

Cc1ccc(COC(=O)CC(=O)OC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
NAAA Q02083 1/20 0.42
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL7430396 0.85 TSHR (0.62) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL9824734 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL7905669 0.81 HTR2A (0.56) ALDH1A1MAPTKMT2AGAARAB9A
SCHEMBL11306225 0.80 MAPT (0.51) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL10309729 0.78 TSHR (0.70) MAPTKMT2AMEN1POLBNPC1
SCHEMBL21652695 0.77 MGAM (0.62) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL2533623 0.77 MAPT (0.63) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL10048327 0.75 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL13932524 0.75 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL3134365 0.75 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AGAAMEN1

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-0261442-B1 MALONIC ACID DERIVATIVES NIHON NOHYAKU CO., LTD. (JP) 1991-11-13 EP claimed