SCHEMBL6201672

SCHEMBL6201672

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA7 P43166 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 3/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 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
SCHEMBL5548918 0.76 MEN1 (0.47) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL20095815 0.72 TDP1 (0.63) TDP1MEN1KMT2AGAACA12
SCHEMBL8908479 0.69 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL19824265 0.68 TDP1 (0.49) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL5327354 0.68 TDP1 (0.57) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL22488319 0.68 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL571043 0.68 TDP1 (0.52) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL20283250 0.68 TDP1 (0.57) TDP1MEN1KMT2AGAACA12
SCHEMBL17934112 0.68 TDP1 (0.57) TDP1MEN1KMT2AGAACA12
SCHEMBL6201668 0.68 CTSK (0.40) TDP1KMT2ACA12CA1CA14

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
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