SCHEMBL23451102

SCHEMBL23451102

C=C(NCCCCCCOC(C)C)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL22601692 0.80 EPHX1 (0.47) SMN1; SMN2
SCHEMBL23442063 0.79 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ATSHRL3MBTL1
SCHEMBL23420002 0.79 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ATSHRL3MBTL1
SCHEMBL12878807 0.76 EPHX1 (0.39) KMT2ASMN1; SMN2HTT
SCHEMBL24063869 0.75 CASP2 (0.38)
SCHEMBL2608244 0.73 ALDH1A1 (0.57) ALDH1A1LMNAKMT2ATSHRL3MBTL1
SCHEMBL23568035 0.73 MEN1 (0.43) KMT2ATSHREPHX2HTTMAPT
SCHEMBL15855130 0.72 KMT2A (0.61) ALDH1A1LMNAKMT2ATSHRL3MBTL1
SCHEMBL24500990 0.72 KMT2A (0.61) ALDH1A1LMNAKMT2ATSHRL3MBTL1
SCHEMBL13033063 0.72 KMT2A (0.61) ALDH1A1LMNAKMT2ATSHRL3MBTL1

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-2021108662-A1 COMPOUND COMPRISING A NUCLEIC ACID AND A HALF-LIFE EXTENSION MOTIF DTX PHARMA, INC. (US) 2021-06-03 WO disclosed