SCHEMBL14033993

SCHEMBL14033993

CCOC(=O)COc1ccc(C(O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PTPN1 P18031 1/20 0.53
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL14033251 0.87 MAPT (0.55) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL377638 0.84 GAA (0.65) MAPTALDH1A1KDM4EHPGDHSD17B10
Bromide SCHEMBL1858718 0.82 GAA (0.63) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2624372 0.81 GAA (0.62) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5386249 0.81 MAPT (0.74) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15942681 0.81 ALOX15 (0.66) MAPTALDH1A1PTPN1MEN1KMT2A
Alcohol SCHEMBL28230448 0.81 GAA (0.61) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11420513 0.81 LTA4H (0.57) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL13399183 0.81 KDM4E (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8623784 0.81 GAA (0.57) MAPTALDH1A1KDM4EHPGDHSD17B10

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
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed