SCHEMBL8575773

SCHEMBL8575773

CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCC2CCCC2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 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
SCHEMBL8575806 0.89 PSEN1 (0.35) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8578448 0.86 SMN1; SMN2 (0.34) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL8574296 0.83 ALDH1A1 (0.39) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8575814 0.83 MEN1 (0.33) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL21553359 0.82 NLRP3 (0.36) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL8579826 0.82 MEN1 (0.33) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL8877893 0.82 MEN1 (0.32) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL5485798 0.81 NLRP3 (0.35) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL8575931 0.81 MEN1 (0.35) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8578003 0.81 MEN1 (0.32) MEN1KMT2AMAPK1ALDH1A1GAA

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