Sugi Predict

Sugi Predict / Compounds / SCHEMBL9258754

SCHEMBL9258754

SCHEMBL9258754

CCCCCCCCCCC(NC(=O)CCCC)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 14/20 0.81
▸ SLC6A5 Q9Y345 2/20 0.68
▸ FAAH O00519 2/20 0.58
▸ EPHX2 P34913 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PLA2G2C Q5R387 1/20 0.53

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
SCHEMBL24590776 0.98 NOD1 (0.78) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL8590565 0.96 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL25542981 0.96 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL25542971 0.96 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL19840648 0.96 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL17849921 0.96 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL25542992 0.96 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL9624935 0.93 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL9752863 0.93 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1
SCHEMBL22151170 0.93 NOD1 (0.87) NOD1SLC6A5FAAHEPHX2MEN1

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-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 — — US disclosed