SCHEMBL14845451

SCHEMBL14845451

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
PAX8 Q06710 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ELANE P08246 1/20 0.45
PLK1 P53350 1/20 0.44
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL14845458 0.89 CES2 (0.75) MAPTCES2CES1CA1CA2
SCHEMBL2419348 0.83 MAPT (1.00) MAPTCES2CES1CA1CA2
SCHEMBL14845429 0.80 ELANE (0.53) MAPTCES2CES1RAB9ANPSR1
SCHEMBL14845467 0.80 CES2 (0.56) MAPTCES2CES1CA1CA2
SCHEMBL31634553 0.80 MAPT (0.57) MAPTCES2CES1CA1CA2
SCHEMBL14845468 0.79 MAPT (0.56) MAPTCES2CES1CA1CA2
Dimethylamine SCHEMBL11023098 0.79 MAPT (0.89) MAPTCES2CES1CA1CA2
SCHEMBL14845456 0.78 RAB9A (0.51) MAPTCA2RAB9ANPC1CYP1A2
SCHEMBL14845435 0.78 PLK1 (0.43) MAPTRAB9ANPSR1NPC1CYP1A2
SCHEMBL2122107 0.77 CES2 (0.75) MAPTCES2CES1CA1CA2

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-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed