SCHEMBL11117628

SCHEMBL11117628

C=CC(=O)OC(OC)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.69
SRC P12931 1/20 0.41
AKT1 P31749 2/20 0.40
KCNN4 O15554 1/20 0.37
TSHR P16473 4/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.33
CES2 O00748 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5892088 0.86 CES1 (0.80) CES1SRCKCNN4TSHRALDH1A1
Formaldehyde SCHEMBL28114609 0.82 CES1 (0.93) CES1SRCKCNN4TSHRTHRB
SCHEMBL28324796 0.82 CES1 (0.93) CES1SRCKCNN4TSHRTHRB
Formaldehyde SCHEMBL1128921 0.82 CES1 (0.93) CES1SRCKCNN4TSHRTHRB
Acrylic Acid SCHEMBL9640960 0.82 CES1 (0.73) CES1SRCAKT1KCNN4TSHR
SCHEMBL1679763 0.82 CES1 (1.00) CES1SRCKCNN4TSHRALDH1A1
SCHEMBL15173 0.82 CES1 (1.00) CES1SRCKCNN4TSHRALDH1A1
Acrylic Acid SCHEMBL10353170 0.81 CES1 (0.67) CES1SRCAKT1KCNN4TSHR
Methoxymethane SCHEMBL28719477 0.81 CES1 (0.96) CES1SRCKCNN4TSHRALDH1A1
SCHEMBL8074609 0.80 CES1 (0.75) CES1SRCKCNN4TSHRALDH1A1

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-0123159-A2 Positive-working photosensitive benzoin esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP disclosed