SCHEMBL20406906

SCHEMBL20406906

C/C=C/C=C/C=C/C(=O)Oc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 4/20 0.62
▸ ALOX5 P09917 4/20 0.62
▸ CYP1A1 P04798 4/20 0.62
▸ PTGS2 P35354 4/20 0.62
▸ CYP1B1 Q16678 4/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ ABL1 P00519 3/20 0.62
▸ BCR P11274 3/20 0.62
▸ ABCB1 P08183 2/20 0.62
▸ NQO2 P16083 2/20 0.62
▸ PTGS1 P23219 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ GFER P55789 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62

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
SCHEMBL17078207 0.95 MEN1 (0.53) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL20394921 0.95 MEN1 (0.53) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL2520244 0.94 MEN1 (0.54) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL18383810 0.91 PTGS2 (0.54) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL2515241 0.90 PTGS2 (0.55) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL20394912 0.87 KMT2A (0.60) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL17078203 0.87 KMT2A (0.60) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL2516279 0.85 KMT2A (0.62) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL2516228 0.84 KMT2A (0.58) TTRALOX5CYP1A1PTGS2CYP1B1
SCHEMBL18383806 0.83 KMT2A (0.56) TTRALOX5CYP1A1PTGS2CYP1B1

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-3116849-B1 COMPOUNDS WITH A COMBINED ANTIOXIDANT ACTIVITY AGAINST FREE RADICALS TOGETHER WITH AN ANTI-INFLAMMATORY ACTION, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF SKIN AND HAIR GIULIANI SPA (IT) 2018-07-25 — — EP disclosed
Send feedback