SCHEMBL8575244

SCHEMBL8575244

CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCCCC1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.33
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 0.31
KDM4E B2RXH2 3/20 0.30

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
SCHEMBL8575948 0.89 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8578476 0.86 OPRM1 (0.35) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8575249 0.84 KDM4E (0.32) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8576908 0.83 KDM4E (0.42) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL8708016 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8577175 0.81 GPR35 (0.36) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL8577357 0.79 KMT2A (0.48) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL21553359 0.78 NLRP3 (0.36) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8578670 0.78 KMT2A (0.41) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL5485798 0.77 NLRP3 (0.35) ALDH1A1MEN1KMT2AOPRM1OPRD1

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-5719310-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed