SCHEMBL9101386

SCHEMBL9101386

CCCCCCCCCCCC[C]c1cc(OC)c(O)c(OC)c1CCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.59
PTGS2 P35354 4/20 0.48
TRPV1 Q8NER1 1/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL9103459 0.78 ALOX5 (0.51) ALOX5TRPV1
SCHEMBL29274056 0.75 ALOX5 (0.60) ALOX5PTGS2TRPV1PPARGPPARD
SCHEMBL20918265 0.75 ALOX5 (0.60) ALOX5PTGS2TRPV1PPARGPPARD
SCHEMBL27903381 0.73 ALOX5 (0.58) ALOX5PTGS2TRPV1PPARGPPARD
SCHEMBL4738884 0.73 ALOX5 (0.40) ALOX5PTGS2
SCHEMBL16465418 0.70 ALOX5 (0.71) ALOX5PTGS2
SCHEMBL16466587 0.70 ALOX5 (0.71) ALOX5PTGS2
SCHEMBL18029847 0.70 ALOX5 (0.75) ALOX5PTGS2
SCHEMBL29014399 0.70 ALOX5 (0.54) ALOX5PTGS2
SCHEMBL9578727 0.70 ALOX5 (0.74) ALOX5PTGS2TRPV1

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-1635777-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2012-06-06 EP claimed