SCHEMBL5548918

SCHEMBL5548918

CC(S)(CNC(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
EPHX1 P07099 1/20 0.36
PTPN11 Q06124 1/20 0.35
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL3049060 0.81 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL2374951 0.80 HMGCR (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL1536313 0.80 HMGCR (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL8908479 0.79 TDP1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL31368614 0.79 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL24746515 0.77 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL22488319 0.77 TDP1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL8284352 0.76 MEN1 (0.45) MEN1KMT2AGAATDP1MAOA
SCHEMBL6201757 0.76 ACHE (0.50) EPHX1
SCHEMBL6201672 0.76 TDP1 (0.41) MEN1KMT2AGAATDP1MAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed