SCHEMBL6202368

SCHEMBL6202368

NC(CCCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
CTSL P07711 1/20 0.52
FOLH1 Q04609 2/20 0.51
CTRB1 P17538 2/20 0.50
SIRT5 Q9NXA8 1/20 0.49
CASP1 P29466 3/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL6806205 0.93 HTT (0.56) HTTCTSLFOLH1CTRB1CASP1
SCHEMBL7976786 0.86 CTRB1 (0.50) HTTCTSLCTRB1SLC1A3SLC1A1
SCHEMBL5501379 0.86 CTSL (0.61) CTSLCTRB1ATM
SCHEMBL4368421 0.85 CTSL (0.57) CTSL
SCHEMBL5711264 0.83 FOLH1 (0.67) HTTCTSLFOLH1SIRT5CASP1
SCHEMBL6278137 0.83 FOLH1 (0.67) HTTCTSLFOLH1SIRT5CASP1
SCHEMBL5711173 0.83 FOLH1 (0.67) HTTCTSLFOLH1SIRT5CASP1
SCHEMBL6941323 0.82 CASP1 (0.56) HTTCTRB1CASP1ATMCA12
SCHEMBL6200622 0.82 CASP1 (0.56) HTTCTRB1CASP1ATMCA12
SCHEMBL6937929 0.82 CASP1 (0.56) HTTCTRB1CASP1ATMCA12

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