SCHEMBL29135733

SCHEMBL29135733

CCCOC(=O)CCSSCCC(=O)OCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
FAAH O00519 2/20 0.45
NAAA Q02083 1/20 0.44
HTR2C P28335 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
DNM1 Q05193 1/20 0.41
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PAM P19021 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL29135601 1.00 DGKA (0.49) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL2704417 0.84 NAAA (0.62) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL18783146 0.84 NAAA (0.62) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL3801130 0.84 NAAA (0.62) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL14353408 0.84 NAAA (0.62) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL1366436 0.84 DGKA (0.67) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL1364732 0.84 DGKA (0.67) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL1366442 0.84 DGKA (0.67) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL1369366 0.84 DGKA (0.67) DGKAFAAHNAAAHTR2CPRSS1
SCHEMBL283830 0.84 DGKA (0.48) DGKANAAAHTR2CDNM1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229160-B Triester cationic lipid compounds, compositions containing same and uses thereof 北京悦康科创医药科技股份有限公司 2024-03-08 CN disclosed
CN-117229160-A Triester cationic lipid compounds, compositions containing same and uses thereof 北京悦康科创医药科技股份有限公司 2023-12-15 CN disclosed