SCHEMBL28064053

SCHEMBL28064053

COc1c(O)cc(C)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
SRC P12931 1/20 0.53
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
MPI P34949 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
PIM1 P11309 1/20 0.41
TSHR P16473 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6737227 0.86 ERN1 (0.57) ERN1CA1CA2SRCTRIM24
SCHEMBL4615908 0.81 ERN1 (0.59) ERN1CA1CA2TRIM24TYR
SCHEMBL3637463 0.81 CA1 (0.55) ERN1CA1CA2TRIM24TYR
SCHEMBL7522554 0.80 ERN1 (0.52) ERN1CA1CA2SRCTRIM24
SCHEMBL16687412 0.79 ERN1 (0.51) ERN1CA1CA2SRCTRIM24
SCHEMBL18002725 0.79 CA1 (0.53) ERN1CA1CA2TRIM24TYR
SCHEMBL68928 0.79 TDP1 (0.67) TDP1KDM4EALDH1A1POLBGAA
SCHEMBL13452129 0.78 ERN1 (0.65) ERN1SRCTDP1KDM4EALDH1A1
SCHEMBL11041903 0.77 ERN1 (0.49) ERN1CA1CA2SRCTRIM24
SCHEMBL8154873 0.77 CA1 (0.50) ERN1CA1CA2TRIM24TYR

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-103857649-B Process for the preparation of vanillin derivatives RHODIA OPERATIONS (FR) 2016-05-04 CN disclosed