SCHEMBL3346540

SCHEMBL3346540

COC(=O)COc1cc(C)cc2[nH]c(=O)c(Cc3cccc4ccccc34)c(C)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
PDE10A Q9Y233 2/20 0.39
PLA2G1B P04054 1/20 0.39
IDH1 O75874 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
CETP P11597 1/20 0.37
PLA2G2A P14555 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NQO1 P15559 1/20 0.36
ATM Q13315 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 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3346098 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDPLA2G1B
SCHEMBL3346093 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3349142 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EPDE10AIDH1TSHR
SCHEMBL3347965 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3348773 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3351515 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDPDE10A
SCHEMBL3345090 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3345079 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL3345023 0.72 PLA2G1B (0.44) ALDH1A1KDM4EHSD17B10HPGDPLA2G1B

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