SCHEMBL28609397

SCHEMBL28609397

CCCCCCCCCCNCCN(CCO)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.47
PHF8 Q9UPP1 2/20 0.47
KDM4C Q9H3R0 1/20 0.47
PAOX Q6QHF9 2/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1274484 0.98 KDM5A (0.44) KDM5APHF8KDM4CPAOXGPR84
SCHEMBL1961129 0.97 KDM5A (0.43) KDM5APHF8KDM4CPAOXGPR84
SCHEMBL1961006 0.97 KDM5A (0.43) KDM5APHF8KDM4CPAOXGPR84
Acetic Acid SCHEMBL28942593 0.95 PAOX (0.45) KDM5APHF8KDM4CPAOXGPR84
Trolamine SCHEMBL28088316 0.92 KDM5A (0.48) KDM5APHF8KDM4CPAOXGPR84
Trolamine SCHEMBL1962252 0.92 KDM5A (0.48) KDM5APHF8KDM4CPAOXGPR84
SCHEMBL29986920 0.91 EPHX2 (0.52) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL21981245 0.91 EPHX2 (0.52) PPARGPPARDPPARAPTPN1TDP1
Propionic Acid SCHEMBL20163211 0.88 PAOX (0.44) KDM5APHF8KDM4CPAOXTSHR
SCHEMBL355144 0.88 PAOX (0.43) KDM5APHF8KDM4CPAOXGPR84

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-108495615-B Use of alkanolamine alkylamides as humectants 阿克苏诺贝尔化学品国际有限公司 2021-07-06 CN disclosed