Sugi Predict

Sugi Predict / Compounds / SCHEMBL8877893

SCHEMBL8877893

SCHEMBL8877893

CCCC1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(=O)OCC)CC1CCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ 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
SCHEMBL8575773 0.82 MEN1 (0.34) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8579826 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8578003 0.80 MEN1 (0.32) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8575814 0.80 MEN1 (0.33) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL21553359 0.79 NLRP3 (0.36) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL734042 0.79 MEN1 (0.31) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL12461036 0.78 TSHR (0.31) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL5485798 0.78 NLRP3 (0.35) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8578647 0.77 MEN1 (0.31) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8576670 0.77 MEN1 (0.31) MEN1KMT2AALDH1A1GAAOPRM1

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
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 — — US disclosed