SCHEMBL7897402

SCHEMBL7897402

CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](O)CCCCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
ASAH1 Q13510 1/20 0.75
DEGS1 O15121 2/20 0.74
PLA2G4A P47712 2/20 0.64
CETP P11597 4/20 0.59
THRB P10828 1/20 0.59
FAAH O00519 2/20 0.54
MAPK1 P28482 1/20 0.54
NOD1 Q9Y239 1/20 0.49
PLA2G2C Q5R387 1/20 0.49

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
SCHEMBL6657556 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL6657795 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL6658369 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL21660329 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL22910990 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL21581283 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL22911004 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL21581286 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL21428456 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A
SCHEMBL1480974 1.00 MEN1 (1.00) MEN1KMT2AASAH1DEGS1PLA2G4A

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-6184008-B1 USING AN ESTERASE TO TO SELECTIVELY HYDROLYZE AN ENANTIOMER OF AN ESTER OF DEFINED STRUCTURE TO PRODUCE THE ALCOHOL; COSMETICS; MEDICINAL TREATMENTS FOR SKIN AND HAIR; CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY LTD. (JP) 2001-02-06 US disclosed
EP-0869185-A2 Production of optically active sphingoid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-07 EP disclosed