SCHEMBL8470765

SCHEMBL8470765

CC(C)(C)OC(=O)NCCOc1ccc(OC(=O)CCc2cc3cc(C#N)ccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PDK2 Q15119 1/20 0.38
MGLL Q99685 2/20 0.37
MMP3 P08254 1/20 0.37
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
SLC5A1 P13866 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34

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
SCHEMBL7388966 0.79 CA12 (0.40) CA12CA1CA2CA9PDK2
SCHEMBL13140981 0.77 CA12 (0.64) ALDH1A1MAPTCA12CA1CA2
SCHEMBL8472880 0.77 GPR119 (0.41) IRAK4
SCHEMBL8469683 0.76 GPR119 (0.57)
SCHEMBL8471690 0.76 GPR119 (0.34) CCNCCDK8IRAK4
SCHEMBL8472255 0.74 GPR119 (0.39)
SCHEMBL25080803 0.73 CA12 (0.65) ALDH1A1MAPTCA12CA1CA2
SCHEMBL3905707 0.72 CA12 (0.55) ALDH1A1GAACA12CA1CA2
SCHEMBL8470397 0.71 GPR119 (0.50)
SCHEMBL29575673 0.70 CA2 (0.48) KDM4ECA12CA1CA2CA9

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-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed