SCHEMBL30608693

SCHEMBL30608693

COc1ccc(C)c(C=O)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.47
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
AOX1 Q06278 1/20 0.41
PTPRF P10586 1/20 0.41
PRKDC P78527 1/20 0.39
FDPS P14324 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37

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
SCHEMBL30608694 0.89 ERN1 (0.55) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL30735710 0.85 ERN1 (0.46) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL8792507 0.85 ERN1 (0.46) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL9714789 0.85 ERN1 (0.46) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL29091956 0.85 ERN1 (0.41) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL10023123 0.83 ERN1 (0.44) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL2628021 0.82 ERN1 (0.43) ERN1ALDH1A1TSHRAOX1PRKDC
SCHEMBL14616501 0.82 ERN1 (0.56) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL16097972 0.82 ERN1 (0.51) ERN1ALDH1A1TSHRAOX1PTPRF
SCHEMBL19792605 0.82 ERN1 (0.43) ERN1ALDH1A1TSHRAOX1PTPRF

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
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed