SCHEMBL29025355

SCHEMBL29025355

NC(=O)OCCCCCCOCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
L3MBTL1 Q9Y468 4/20 0.48
EPHX2 P34913 2/20 0.48
TDP1 Q9NUW8 4/20 0.48
SPHK1 Q9NYA1 2/20 0.47
NAAA Q02083 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TEAD3 Q99594 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28906669 0.97 LMNA (0.61) LMNAL3MBTL1EPHX2TDP1SPHK1
SCHEMBL18661335 0.95 LMNA (0.67) LMNAL3MBTL1EPHX2TDP1SPHK1
SCHEMBL28430036 0.92 LMNA (0.63) LMNAL3MBTL1EPHX2TDP1SPHK1
SCHEMBL28606330 0.89 LMNA (0.63) LMNAL3MBTL1EPHX2TDP1SPHK1
SCHEMBL26907107 0.88 LMNA (0.66) LMNAL3MBTL1TDP1NAAATSHR
SCHEMBL6382531 0.85 EPHX2 (0.56) LMNAL3MBTL1EPHX2TDP1SPHK1
SCHEMBL20023124 0.83 ALDH1A1 (0.49) LMNAL3MBTL1EPHX2TDP1NAAA
SCHEMBL9871595 0.83 ALDH1A1 (0.62) LMNAL3MBTL1EPHX2TDP1NAAA
SCHEMBL1838924 0.83 LMNA (0.86) LMNATDP1NAAASMN1; SMN2
SCHEMBL1833113 0.83 LMNA (0.86) LMNATDP1NAAASMN1; SMN2

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-116368146-A Novel ligands for asialoglycoprotein receptors 赛诺菲 2023-06-30 CN disclosed