SCHEMBL5748233

SCHEMBL5748233

CCCCC(CC)Cc1c(C(=CC(=O)O)C(C)=O)cc(OC)c(O)c1OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.34
TRPV1 Q8NER1 3/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TOP1 P11387 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL2213744 0.83 PKM (0.35) ALOX5PPARGALDH1A1LMNACA2
SCHEMBL2213832 0.81 PKM (0.38) ALOX5TRPV1ALDH1A1LMNACA2
SCHEMBL5449778 0.81 ALOX5 (0.35) ALOX5TRPV1ALDH1A1LMNACA2
SCHEMBL2211615 0.79 ALOX5 (0.41) ALOX5PPARGALDH1A1LMNACA2
SCHEMBL5750215 0.73 RARG (0.40) PPARGALDH1A1LMNACA2CYP3A4
SCHEMBL9101999 0.71 ALOX5 (0.39) ALOX5TRPV1PPARGPPARDPPARA
SCHEMBL23530144 0.71 TDP1 (0.47) ALOX5ALDH1A1LMNACA2CYP3A4
SCHEMBL5748837 0.69 ALDH1A1 (0.34) ALDH1A1LMNACA2CYP3A4TDP1
SCHEMBL2268666 0.68 RXRA (0.40) ALOX5PPARGALDH1A1
SCHEMBL9161027 0.67 ALDH1A1 (0.34) PPARAALDH1A1CA2CYP3A4TDP1

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-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP claimed