SCHEMBL3346093

SCHEMBL3346093

COC(=O)COc1cc(C)cc2[nH]c(=O)c(Cc3ccc(Cl)cc3Cl)c(C)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.38
GAA P10253 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL3351444 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3348773 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3773003 0.82 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3349098 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3345079 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3346540 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3347965 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3345539 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3344710 0.80 KDM4E (0.48) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL3348700 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed