SCHEMBL2732362

SCHEMBL2732362

COc1ccc(O)c(C(c2cc(C=O)ccc2O)(c2cc(OC)ccc2O)c2cc(OC)ccc2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ TRIM24 O15164 2/20 0.54
▸ TRIM33 Q9UPN9 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ERN1 O75460 1/20 0.54
▸ ALDH5A1 P51649 1/20 0.54
▸ ABAT P80404 1/20 0.54
▸ TYR P14679 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ AOX1 Q06278 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NQO2 P16083 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ MEN1 O00255 3/20 0.43

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
SCHEMBL13257342 0.85 KDM4E (0.61) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL2730132 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL2730148 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL30500661 0.74 PTGS2 (0.57) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL2632511 0.74 PTGS2 (0.57) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL3921867 0.73 ALDH1A1 (0.56) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL16900546 0.72 ALDH1A1 (0.48) ALDH1A1TDP1HPGDERN1CYP2A6
SCHEMBL35535 0.72 ALDH1A1 (0.73) ALDH1A1TDP1HPGDERN1TYR
SCHEMBL29577162 0.72 ALDH1A1 (0.65) ALDH1A1TDP1TRIM24TRIM33HPGD
SCHEMBL6142004 0.72 ALDH1A1 (0.73) ALDH1A1TDP1HPGDERN1TYR

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-RE43067-E1 Method for producing new polynuclear poly(formylphenol) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-03 — — US disclosed
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