SCHEMBL10577288

SCHEMBL10577288

CC(=O)CC(C)(C)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
PPARA Q07869 5/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Acetic Acid SCHEMBL28684431 0.81 PPARG (0.42) PPARGCYP2C19PPARAALDH1A1MTNR1A
SCHEMBL10806680 0.76 ALDH1A1 (0.38) PPARGCYP2C19PPARAALDH1A1MTNR1A
Acetic Acid SCHEMBL29119752 0.76 ALDH1A1 (0.41) PPARGCYP2C19PPARAALDH1A1MTNR1A
Diphenylether SCHEMBL27602974 0.76 SMN1; SMN2 (0.50) PPARGPPARAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1757874 0.75 ALDH1A1 (0.41) PPARGCYP2C19PPARAALDH1A1ALOX15
SCHEMBL3937220 0.75 PPARG (0.39) PPARGCYP2C19PPARAALDH1A1ALOX15
SCHEMBL28141859 0.74 CA4 (0.42) PPARGPPARAALDH1A1CYP2D6
SCHEMBL29191654 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1KMT2A
SCHEMBL13072375 0.74 PPARA (0.50) PPARGCYP2C19PPARAALDH1A1POLB
SCHEMBL11513547 0.74 L3MBTL1 (0.42) PPARGCYP2C19PPARAALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
US-4880568-A Method and composition for the removal of ammonium salt and metal compound deposits AQUA PROCESS, INC. (US) 1989-11-14 US disclosed
US-4793865-A Method and composition for the removal of ammonium salt and metal compound deposits AQUA PROCESS, INC. (US) 1988-12-27 US disclosed