SCHEMBL366952

SCHEMBL366952

CCOC(=O)c1c2ccc(OC(C)CC(=O)O)cc2n2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.63
ALDH1A1 P00352 10/20 0.63
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
MAPT P10636 3/20 0.63
SAE1 Q9UBE0 2/20 0.63
UBA2 Q9UBT2 2/20 0.63
APAF1 O14727 1/20 0.63
G6PD P11413 1/20 0.63
PABPC1 P11940 1/20 0.63
CACNA1B Q00975 1/20 0.63
APBA1 Q02410 1/20 0.63
HPGD P15428 4/20 0.54
LMNA P02545 2/20 0.54
XBP1 P17861 1/20 0.54
MPI P34949 1/20 0.54
GAA P10253 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 2/20 0.53

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
SCHEMBL366944 0.91 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL366399 0.90 ALDH1A1 (0.64) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL366503 0.87 ALDH1A1 (0.63) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL366423 0.87 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL366953 0.85 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL366986 0.85 ALDH1A1 (0.77) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL364968 0.84 KDM4E (0.70) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL366157 0.84 ALDH1A1 (0.62) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL365517 0.84 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL365110 0.83 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed