SCHEMBL28285376

SCHEMBL28285376

CCCCCCCCCCN1C=CN(C)C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 5/20 0.35
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35
PDE4A P27815 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL28285379 1.00 KCNH2 (0.35) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL28979090 1.00 KCNH2 (0.35) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL28979314 1.00 KCNH2 (0.35) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL28283889 1.00 KCNH2 (0.35) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL28979316 0.98 ALDH1A1 (0.33) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL1917059 0.93 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APOLBFASN
SCHEMBL28979095 0.85 L3MBTL1 (0.30)
SCHEMBL28977683 0.84 KCNH2 (0.35) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL28977699 0.84 KCNH2 (0.35) KCNH2GPR84PPARGPPARDPPARA
SCHEMBL1917765 0.83 ALDH1A1 (0.38) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed
CN-110475765-A The preparation method of amides compound KOEI CHEMICAL CO 2019-11-19 CN disclosed
CN-109563050-A Amide salt compound, for the catalyst of polyurethane production and the production method of polyurethane resin 广荣化学工业株式会社 2019-04-02 CN disclosed