SCHEMBL29613229

SCHEMBL29613229

COCCCOc1cc(C2CCC(C)(C)C2NC=O)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
KDM4E B2RXH2 4/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 4/20 0.31
PPARD Q03181 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL19252786 1.00 LMNA (0.33) LMNAMAPK1HTTPPARGPPARA
SCHEMBL19272914 0.90 PPARG (0.31) LMNAMAPK1HTTPPARGPPARA
SCHEMBL29613166 0.89 PDE4B (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL18424750 0.89 PDE4B (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL19270712 0.83 REN (0.38)
SCHEMBL29613292 0.81 CYP2C9 (0.36) MAPK1PPARGPPARAHTR2AHTR2C
SCHEMBL19252796 0.81 CYP2C9 (0.36) MAPK1PPARGPPARAHTR2AHTR2C
SCHEMBL18424748 0.79 LMNA (0.34) LMNAMAPK1HTTPPARGPPARA
SCHEMBL18425287 0.73 PDE4B (0.48) LMNAMAPK1HTTKDM4EALDH1A1
SCHEMBL19252777 0.72 HTR2C (0.39) MAPK1PPARGPPARAHTR2AHTR2C

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-109071447-B Tetracyclic pyridinone compounds as antiviral agents 诺华股份有限公司 2022-04-22 CN disclosed