SCHEMBL8040744

SCHEMBL8040744

CCCCc1ccc(C)c(C=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.46
ELANE P08246 4/20 0.40
CTSG P08311 4/20 0.40
ALOX5 P09917 2/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PRKCI P41743 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL28035774 0.90 PRKCI (0.45) TYRELANECTSGALOX5MEN1
SCHEMBL3962694 0.88 TYR (0.46) TYRELANECTSGALOX5PTGS2
SCHEMBL14677973 0.85 TYR (0.51) TYRELANECTSGALOX5PTGS2
SCHEMBL6140435 0.80 TYR (0.58) TYRELANECTSGALOX5PTGS2
SCHEMBL3995610 0.78 TYR (0.55) TYRELANECTSGALOX5PTGS2
SCHEMBL5337847 0.77 PRKCI (0.49) TYRELANECTSGALOX5MEN1
SCHEMBL1005151 0.77 TYR (0.53) TYRELANECTSGALOX5PTGS2
SCHEMBL1773588 0.77 TYR (0.62) TYRELANECTSGALOX5PTGS2
SCHEMBL31256695 0.77 TYR (0.62) TYRELANECTSGALOX5PTGS2
SCHEMBL27462004 0.77 TYR (0.42) TYRELANECTSGALOX5MEN1

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-0998899-A1 Use of butylhydroxytoluene for stabilizing of flavones, flavanones or flavonoids, and synergistic mixtures , cosmetic and dermatological preparations containing them Beiersdorf Aktiengesellschaft (DE) 2000-05-10 EP disclosed