SCHEMBL25342269

SCHEMBL25342269

COc1c(C)cc(C=O)c(C)c1C=O.Cc1cc(C)c(C=O)c(O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 11/20 0.41
▸ AKR1B1 P15121 3/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TRIM24 O15164 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ TLR6 Q9Y2C9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL25342401 0.89 PRKDC (0.40) ERN1AKR1B1CA1CA2TRIM24
SCHEMBL13866746 0.82 AKR1B1 (0.49) ERN1AKR1B1CA1CA2ALDH1A1
SCHEMBL29080285 0.79 ERN1 (0.33) ERN1AKR1B1CA1CA2TRIM24
SCHEMBL29818737 0.79 PRKDC (0.40) ERN1AKR1B1CA1CA2TRIM24
SCHEMBL10408221 0.77 ERN1 (0.47) ERN1AKR1B1CA1CA2TRIM24
SCHEMBL25342989 0.76 CYP3A4 (0.48) ERN1AKR1B1CA1CA2TRIM24
SCHEMBL24136726 0.75 ALDH1A1 (0.42) ERN1CA1CA2TRIM24TYR
SCHEMBL9143656 0.75 ERN1 (0.48) ERN1AKR1B1CA1CA2ALDH1A1
SCHEMBL30542685 0.75 ERN1 (0.48) ERN1AKR1B1CA1CA2ALDH1A1
SCHEMBL10504348 0.75 AKR1B1 (0.41) ERN1AKR1B1CA1CA2ALDH1A1

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-4225811-A1 POLYMER PARTICLES Queensland University Of Technology (AU) 2023-08-16 — — EP disclosed
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