SCHEMBL12018296

SCHEMBL12018296

O=C(O)C(=O)c1ccc(CO)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.45
PKM P14618 1/20 0.44
ACE2 Q9BYF1 3/20 0.42
PTPRC P08575 4/20 0.42
PTPN1 P18031 4/20 0.42
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.39
EGFR P00533 1/20 0.36
PTGS2 P35354 1/20 0.35
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
CYBB P04839 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL1237689 0.83 ACE2 (0.53) PKMACE2PTGS2TP53TSHR
SCHEMBL29654186 0.83 ACE2 (0.53) PKMACE2PTGS2TP53TSHR
SCHEMBL10548309 0.80 PKM (0.48) PKMACE2PTGS2GRIA1GRIA2
SCHEMBL14393688 0.79 CES2 (0.50) PKMACE2CES2CES1
SCHEMBL12018339 0.77 PKM (0.43) PKMACE2CES2CES1
SCHEMBL14612420 0.77 PKM (0.46) PKMACE2EGFRPTGS2CYBB
SCHEMBL18073734 0.77 PKM (0.71) PKMACE2
SCHEMBL26998263 0.76 ATM (0.57) PTGS2
SCHEMBL13890463 0.74 CYP4F2 (0.44) PKMACE2
SCHEMBL17058903 0.73 ACE2 (0.53) PKMACE2PTGS2TP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836002-B1 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS BASF SE (DE) 2012-08-29 EP disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed