SCHEMBL17381391

SCHEMBL17381391

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C(CCC(N)=O)NOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ CTSK P43235 2/20 0.42
▸ BCHE P06276 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ EPOR P19235 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ REN P00797 1/20 0.38
▸ SUCNR1 Q9BXA5 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
SCHEMBL17381478 0.88 SMN1; SMN2 (0.57) CTSSSMN1; SMN2LMNACTSKBCHE
SCHEMBL16384887 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTTLR2EPOR
SCHEMBL22857443 0.85 CTSS (0.46) CTSSSMN1; SMN2IDO1CTSKCTSL
SCHEMBL25132765 0.77 SYK (0.49) CTSSSMN1; SMN2LMNACTSKBCHE
SCHEMBL31365850 0.76 LMNA (0.51) CTSSSMN1; SMN2LMNACTSKBCHE
SCHEMBL16384882 0.76 ALB (0.40) SMN1; SMN2HTTEPOR
SCHEMBL12196470 0.76 SMN1; SMN2 (0.76) CTSSSMN1; SMN2LMNAIDO1HTT
SCHEMBL19726709 0.76 LMNA (0.55) CTSSSMN1; SMN2LMNAIDO1CTSK
SCHEMBL12196508 0.76 MAPT (0.58) SMN1; SMN2LMNAMAPT
SCHEMBL30859205 0.76 MAPT (0.58) SMN1; SMN2LMNAMAPT

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
WO-2015200078-A1 FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2015-12-30 — — WO disclosed
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