SCHEMBL9876233

SCHEMBL9876233

CCCCCCCCCCCCCCCCCc1ccc2ccccc(OC(C)OC)c1-2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
PPARA Q07869 3/20 0.39
ELANE P08246 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HTR2A P28223 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
GCGR P47871 4/20 0.37
DHFR P00374 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9875539 0.84 ALOX5 (0.53) ALOX5PTGS2PPARAELANETHRA
SCHEMBL9875656 0.84 ALOX5 (0.53) ALOX5PTGS2PPARAELANETHRA
SCHEMBL9876117 0.84 ALOX5 (0.53) ALOX5PTGS2PPARAELANETHRA
SCHEMBL9876444 0.80 HTR2A (0.36) ALOX5PTGS2HTR2AGCGR
SCHEMBL9876120 0.80 MEN1 (0.46) ALOX5PTGS2PPARATHRATHRB
SCHEMBL9876234 0.78 ALOX5 (0.40) ALOX5PTGS2PPARAELANETHRA
SCHEMBL29197409 0.76 PTGS2 (0.60) ALOX5PTGS2PPARAELANETHRA
SCHEMBL29005750 0.76 PPARA (0.50) ALOX5PTGS2PPARATHRATHRB
SCHEMBL9876439 0.73 HTR2A (0.47) ALOX5PTGS2PPARAELANEHTR2A
SCHEMBL9876456 0.73 HTR2A (0.47) ALOX5PTGS2PPARAELANEHTR2A

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed