SCHEMBL31530004

SCHEMBL31530004

C[C@@H]1CN(CCC(=O)OCCCCN)[C@@H](C)CN1CCC(=O)OCCCCN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.43
THRA P10827 1/20 0.43
SLC29A1 Q99808 1/20 0.43
HTR2C P28335 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.35
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
NAAA Q02083 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
SCHEMBL16597545 0.91 THRB (0.49) THRBTHRASLC29A1HTR2CMAPT
SCHEMBL10079025 0.89 THRB (0.51) THRBTHRASLC29A1HTR2CMAPT
SCHEMBL33174 0.84 THRB (0.58) THRBTHRAHTR2CMAPTRECQL
SCHEMBL13327007 0.84 THRB (0.45) THRBTHRASLC29A1HTR2CMAPT
SCHEMBL672310 0.84 THRB (0.44) THRBTHRASLC29A1MAPT
SCHEMBL28146 0.83 THRB (0.56) THRBTHRAHTR2CMAPTALDH1A1
SCHEMBL33242 0.81 THRB (0.45) THRBTHRASLC29A1HTR2CMAPT
SCHEMBL673561 0.79 THRB (0.48) THRBTHRASLC29A1MAPTALDH1A1
SCHEMBL13327014 0.79 THRB (0.42) THRBTHRASLC29A1MAPT
SCHEMBL13327010 0.78 THRB (0.41) THRBTHRASLC29A1MAPTALDH1A1

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-2025096940-A1 LIPID COMPOUNDS SPARK THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed