SCHEMBL9475546

SCHEMBL9475546

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.44
NR1H4 Q96RI1 2/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIA4 P48058 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
SRD5A2 P31213 1/20 0.38

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
SCHEMBL12282201 0.84 CES2 (0.45)
SCHEMBL2008587 0.80 NR1H4 (0.53) MAPTNR1H4HDAC1ALDH1A1LMNA
SCHEMBL7306864 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTNR1H4ALDH1A1
SCHEMBL3578941 0.79 ESR1 (0.54) KMT2AALDH1A1
SCHEMBL7372260 0.79 MAPT (0.44) KMT2AMEN1MAPTNR1H4HDAC1
SCHEMBL8307755 0.79 MAPT (0.44) KMT2AMEN1MAPTNR1H4HDAC1
SCHEMBL2390293 0.78 SLC6A3 (0.46) KMT2AMAPTALDH1A1LMNARECQL
SCHEMBL17309222 0.78 RAB9A (0.49) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL12742297 0.78 KMT2A (0.48) KMT2AMEN1MAPTHDAC1ALDH1A1
SCHEMBL1154849 0.78 L3MBTL1 (0.49) KMT2AMEN1ALDH1A1

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