SCHEMBL21338331

SCHEMBL21338331

COCCOCCOCCN(CCNC(=O)OCCP)CCNC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
TGM2 P21980 1/20 0.41
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FOLH1 Q04609 1/20 0.38
CHRNB2 P17787 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
SCHEMBL17972739 0.93 LMNA (0.63) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL13531477 0.88 SMN1; SMN2 (0.71) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL11990340 0.86 SMN1; SMN2 (0.73) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL40348 0.86 SMN1; SMN2 (0.63) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL18594580 0.81 SMN1; SMN2 (0.83) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL11990353 0.81 LMNA (0.64) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL17972790 0.80 SMN1; SMN2 (0.63) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL14288938 0.79 LMNA (0.69) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL11990357 0.78 SMN1; SMN2 (0.64) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL8389256 0.77 SMN1; SMN2 (0.74) LMNASMN1; SMN2L3MBTL1HTTMAPT

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
EP-2920157-B1 DI-MACROCYCLES LUMIPHORE INC (US) 2019-09-11 EP disclosed