SCHEMBL7604913

SCHEMBL7604913

N#CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
KEAP1 Q14145 2/20 0.62
NFE2L2 Q16236 2/20 0.62
TGM2 P21980 1/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
FOLH1 Q04609 2/20 0.55
CTSS P25774 6/20 0.54
CTSL P07711 5/20 0.54
CTSB P07858 2/20 0.54
CTSK P43235 2/20 0.54
DPP8 Q6V1X1 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
DPP4 P27487 1/20 0.53
DPP9 Q86TI2 1/20 0.53

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
SCHEMBL12176970 0.96 HTT (0.67) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL2391033 0.90 LMNA (0.65) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL18254066 0.88 HTT (0.81) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL9975659 0.87 CTSL (0.56) HTTTGM2FOLH1CTSSCTSL
SCHEMBL6444986 0.87 HTT (0.67) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL9340146 0.86 HTT (0.79) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL15346534 0.86 HTT (0.79) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL9874334 0.86 HTT (0.79) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL7285301 0.86 TGM2 (0.65) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL3151115 0.86 TGM2 (0.65) HTTKEAP1NFE2L2TGM2LMNA

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-1212096-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME Brenner, Sydney (US) 2002-06-12 EP disclosed
WO-2001013958-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME BRENNER SYDNEY (US) 2001-03-01 WO disclosed