SCHEMBL8575814

SCHEMBL8575814

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 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
MAPK1 P28482 2/20 0.31
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
NLRP3 Q96P20 1/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
POLB P06746 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
SCHEMBL8576766 0.89 SMN1; SMN2 (0.34) MEN1KMT2AGAAOPRM1OPRD1
SCHEMBL8578003 0.88 MEN1 (0.32) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8577169 0.86 SMN1; SMN2 (0.34) MEN1KMT2AGAAOPRM1OPRD1
SCHEMBL21553359 0.85 NLRP3 (0.36) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL5485798 0.84 NLRP3 (0.35) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8579077 0.83 KDM4E (0.39) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL8575820 0.83 ACACB (0.35) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8575773 0.83 MEN1 (0.34) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8579826 0.82 MEN1 (0.33) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8576874 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1GAAL3MBTL1

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