SCHEMBL28637464

SCHEMBL28637464

O=C1SCCN1CCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PABPC1 P11940 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
INMT O95050 1/20 0.33
GBA1 P04062 1/20 0.31

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
SCHEMBL27345851 0.98 ALDH1A1 (0.42) ALDH1A1PABPC1KMT2AL3MBTL1KDM4E
SCHEMBL27686340 0.84
SCHEMBL8775918 0.79 MGLL (0.43) ALDH1A1KMT2AL3MBTL1MEN1NPC1
SCHEMBL4079827 0.77 KEAP1 (0.32) SMN1; SMN2INMT
SCHEMBL4974886 0.77 MEN1 (0.39) ALDH1A1KMT2AL3MBTL1KDM4EMEN1
SCHEMBL3933880 0.76
SCHEMBL4968832 0.74 ALDH1A1 (0.49) ALDH1A1PABPC1KMT2AL3MBTL1KDM4E
SCHEMBL4071473 0.73 TERT (0.38)
SCHEMBL4975560 0.72
SCHEMBL11758314 0.72

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
CN-109354591-B Active layer material of organic solar cell and preparation method and application thereof 中国科学院重庆绿色智能技术研究院 2021-09-14 CN disclosed