SCHEMBL28586752

SCHEMBL28586752

CCCC(Oc1cccc2cc3ccccc3cc12)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
MTNR1B P49286 4/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL28918174 0.93 PPARG (0.40) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL28592599 0.91 PPARG (0.43) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL29288064 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL29288092 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL29288075 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL29288116 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL29288101 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL28596899 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL28590711 0.90 PPARG (0.45) PPARGPPARAKDM4ELMNAMAPT
SCHEMBL28608607 0.90 PPARG (0.48) PPARGPPARAKDM4EALDH1A1HPGD

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-113454090-A Compound having polycyclic aromatic skeleton and endoperoxide compound thereof 川崎化成工业株式会社 2021-09-28 CN disclosed
CN-113166036-A Photopolymerisable sensitizers having migration resistance 川崎化成工业株式会社 2021-07-23 CN disclosed