SCHEMBL19502283

SCHEMBL19502283

CCCCC(CC)C(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
PTGES O14684 4/20 0.42
ALOX5 P09917 4/20 0.42
PTPN11 Q06124 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
DHODH Q02127 1/20 0.39
PPARA Q07869 1/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2608670 0.90 PPARG (0.43) PPARGPTGESALOX5PTPN11CA1
SCHEMBL29370811 0.90 PPARG (0.43) PPARGPTGESALOX5PTPN11CA1
SCHEMBL13851798 0.88 PPARG (0.43) PPARGPTGESALOX5PTPN11CA1
SCHEMBL26240776 0.87 PPARG (0.41) PPARGPTGESALOX5PTPN11CA1
SCHEMBL19502238 0.87 ALOX5 (0.49) PPARGPTGESALOX5PPARANPC1
SCHEMBL22721275 0.84 DHODH (0.43) PPARGPTGESALOX5PTPN11CA1
SCHEMBL12802991 0.83 GAA (0.48) PPARGPTGESALOX5PTPN11CA1
SCHEMBL12115325 0.82 NPSR1 (0.42) PPARGPTGESALOX5PTPN11CA1
SCHEMBL19240505 0.82 PTGES (0.44) PPARGPTGESALOX5CA1CA2
SCHEMBL19254038 0.82 GAA (0.43) PPARGPTGESALOX5PTPN11CA1

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-2474302-B1 SUNSCREEN COSMETIC COMPOSITION CONTAINING ULTRAVIOLET ABSORBER ADEKA CORP (JP) 2017-10-25 EP disclosed