SCHEMBL7670000

SCHEMBL7670000

CCOC(=O)CCCN(c1ccc(OC(F)(F)F)cc1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.52
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PTGER1 P34995 1/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
SERPINE1 P05121 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7382734 0.94 HCRTR2 (0.52) HCRTR2LMNAGAAHTTPTGER1
SCHEMBL25333728 0.81 PSEN1 (0.43) HCRTR2KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL1291299 0.79 PSEN1 (0.51) HCRTR2L3MBTL1MAPTTP53PSEN1
SCHEMBL23209700 0.77 MMP1 (0.46) HCRTR2LMNAPTGER1KEAP1NFE2L2
SCHEMBL1495969 0.77 TP53 (0.52) LMNAPTGER1L3MBTL1MAPTTP53
SCHEMBL16628510 0.74 PSEN1 (0.45) LMNAKEAP1NFE2L2MAPTTP53
SCHEMBL6755023 0.74 HCRTR2 (0.82) HCRTR2LMNAGAAHTTKEAP1
SCHEMBL26159161 0.74 PSEN1 (0.53) L3MBTL1MAPTTP53PSEN1PSEN2
SCHEMBL344172 0.73 TP53 (0.44) HCRTR2LMNAHTTL3MBTL1MAPT
SCHEMBL17158346 0.71 C5AR1 (0.44) HCRTR2PTGER1KEAP1NFE2L2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed