SCHEMBL24379065

SCHEMBL24379065

COC(=O)c1cc(OC)cc(OC)c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
POLB P06746 4/20 0.54
CYP3A4 P08684 3/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
POLK Q9UBT6 1/20 0.50
POLH Q9Y253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 5/20 0.49
RECQL P46063 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL12135841 0.89 GAA (0.51) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL23167800 0.89 CYP3A4 (0.62) GAAPOLBCYP3A4USP2MAPK1
Methyl 2,4,6-Trimethoxybenzoate SCHEMBL2563067 0.88 CYP3A4 (0.58) GAACYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL205044 0.83 KDM4E (0.50) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL21957666 0.81 CYP3A4 (0.71) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL2027170 0.81 CYP3A4 (0.69) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL6945356 0.81 GAA (0.50) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL20812825 0.81 POLB (0.71) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL3783006 0.81 KDM4E (0.49) GAAPOLBCYP3A4USP2MAPK1
SCHEMBL9595637 0.81 POLB (0.59) GAAPOLBCYP3A4USP2SMN1; SMN2

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
WO-2022087125-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN ARVINAS OPERATIONS, INC. (US) 2022-04-28 WO disclosed