SCHEMBL9505738

SCHEMBL9505738

CCCCCCCCCc1c(O)ccc(Cc2ccc(O)c(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.59
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX5 P09917 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1092266 0.98 TYR (0.56) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL25276443 0.92 TYR (0.49) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL982320 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL982897 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL982285 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL984723 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL984098 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL982582 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL984196 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL983973 0.91 TYR (0.66) TYRTP53CYP3A4ALOX5MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63238164-A None JP disclosed
EP-0282433-B1 AUTOSYNERGISTIC PHENOLIC ANTIOXIDANT REACTION PRODUCT THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-08-11 EP disclosed
JP-S63238164-A LIQUID STABILIZER COMPOSITION FOR ORGANIC SUBSTANCE ADEKA ARGUS CHEM CO LTD 1988-10-04 JP disclosed
EP-0282433-A2 Autosynergistic phenolic antioxidant reaction product THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-09-14 EP disclosed
US-4707300-A PHENOLIC RESINS MODIFIED WITH MERCAPTAINS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-11-17 US disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed