SCHEMBL9475464

SCHEMBL9475464

COC(=O)C(OC)(OC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CES1 P23141 1/20 0.47
HDAC1 Q13547 1/20 0.47
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNN4 O15554 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL9475439 0.85 MAPT (0.41) MAPTCES1HDAC1LMNAMAPK1
SCHEMBL9475911 0.82 MAPT (0.50) MAPTCES1LMNAMAPK1ALDH1A1
SCHEMBL9476200 0.82 CES1 (0.42) MAPTCES1LMNAMAPK1ALDH1A1
SCHEMBL9475925 0.82 MAPT (0.43) MAPTCES1LMNAMAPK1ALDH1A1
SCHEMBL9475312 0.82 LMNA (0.45) MAPTHDAC1LMNAMAPK1ALDH1A1
SCHEMBL5580542 0.82 CES1 (0.69) MAPTCES1HDAC1MAPK1ALDH1A1
SCHEMBL6188679 0.79 CES1 (0.56) MAPTCES1LMNAKCNN4NPC1
SCHEMBL5877921 0.79 MAPT (0.50) MAPTHDAC1LMNAMAPK1ALDH1A1
SCHEMBL9475849 0.77 CES1 (0.53) CES1LMNAALDH1A1KCNN4NPC1
SCHEMBL9475726 0.77 PLK1 (0.51) MAPTLMNAMAPK1ALDH1A1TDP1

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-5243066-A ALKYL 2-ARYL-2,2-DIALKOXYACETATES, THE PREPARATION THEREOF AND A METHOD OF USING THEM FOR PREPARING ARYLGLYOXYLIC ESTERS BASF AKTIENGESELLSCHAFT (DE) 1993-09-07 US disclosed