SCHEMBL7690998

SCHEMBL7690998

CC(=O)C(=O)Oc1c(C)cccc1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN1 P18031 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL447625 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL31465688 0.83 L3MBTL1 (0.55) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL2059537 0.82 KDM4E (0.71) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL7877962 0.81 TDP1 (0.51) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL8764787 0.79 L3MBTL1 (0.55) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL25907019 0.78 L3MBTL1 (0.46) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL982574 0.77 L3MBTL1 (0.58) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6363008 0.77 TDP1 (0.46) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
Acetic Acid SCHEMBL28743775 0.77 KDM4E (0.70) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6476583 0.77 KMT2A (0.46) KMT2A

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-2002090360-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO disclosed