SCHEMBL9475312

SCHEMBL9475312

CCOC(OCC)(C(=O)OC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 5/20 0.42
HDAC1 Q13547 3/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL9475474 0.86 MAPT (0.43) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL9474908 0.85 ALDH1A1 (0.47) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL9474408 0.85 SMN1; SMN2 (0.40) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL9475002 0.84 PPARA (0.40) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL9476412 0.83 PLK1 (0.50) LMNAALDH1A1MAPK1TDP1MAPT
SCHEMBL9475464 0.82 MAPT (0.47) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL9475853 0.80 NPC1 (0.48) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL9474900 0.78 L3MBTL1 (0.45) ALDH1A1MAPK1MAPTSMN1; SMN2RAB9A
SCHEMBL9475925 0.76 MAPT (0.43) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL9474872 0.74 ALDH1A1 (0.44) LMNAALDH1A1ALOX15APEX1MAPK1

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