SCHEMBL11078552

SCHEMBL11078552

COC(=O)Cc1cc[nH]c(=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 4/20 0.40
GLA P06280 2/20 0.40
EGFR P00533 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSP90AB1 P08238 1/20 0.40
HPGD P15428 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GFER P55789 1/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5180007 0.84 KMT2A (0.51) KDM4EALDH1A1GAAEGFRSMN1; SMN2
SCHEMBL8106601 0.80 KMT2A (0.42) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL5179199 0.79 GRIN2D (0.45) KDM4EALDH1A1GAAGLAEGFR
SCHEMBL3171866 0.78 KDM4E (0.45) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL9094208 0.76 GABRA1 (0.48) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL28357703 0.76 CYP4F2 (0.40) KDM4EALDH1A1GAAGLAEGFR
SCHEMBL11075684 0.75 KDM4E (0.49) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL8147897 0.74 GABRA1 (0.52) KDM4EALDH1A1GAAGLAEGFR
SCHEMBL3174185 0.73 SMN1; SMN2 (0.40) KDM4EALDH1A1GAAEGFRSMN1; SMN2
SCHEMBL16111196 0.72 SMN1; SMN2 (0.39) KDM4EALDH1A1GAAEGFRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed