SCHEMBL4748770

SCHEMBL4748770

COC(=O)c1cc(C(=O)OC(C)(C)C)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 4/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39
NOTUM Q6P988 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
GAA P10253 2/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL475760 0.89 KDM4E (0.56) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL4751276 0.89 CA12 (0.38) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL16223742 0.84 KMT2A (0.38) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL165562 0.84 KDM4E (0.51) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL7868931 0.84 KDM4E (0.51) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL15276344 0.81 CA12 (0.39) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL17747120 0.81 CA1 (0.54) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL12180307 0.81 L3MBTL1 (0.51) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL3446204 0.81 CA12 (0.58) L3MBTL1KMT2ALMNAMEN1ALDH1A1
SCHEMBL3595760 0.80 L3MBTL1 (0.51) L3MBTL1KMT2ALMNAMEN1ALDH1A1

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
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed