SCHEMBL28459366

SCHEMBL28459366

CC(C)CCCCCCCCCCCOC(=O)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
NAAA Q02083 1/20 0.44
HTR2C P28335 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPT P10636 1/20 0.42
RARB P10826 1/20 0.41
DNM1 Q05193 1/20 0.41
PLA2G2A P14555 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL28459279 1.00 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL28449398 1.00 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL28457505 1.00 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL17891958 1.00 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL31509337 1.00 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL28453405 0.98 DGKA (0.45) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL17581571 0.96 DGKA (0.53) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL10777680 0.96 DGKA (0.53) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL916271 0.96 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL19348923 0.96 DGKA (0.53) DGKANAAAHTR2CPRSS1PRSS2

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-111647975-A Novel spandex oil agent and spandex obtained through treatment of novel spandex oil agent 烟台锐泽化学品有限公司 2020-09-11 CN disclosed