SCHEMBL25288908

SCHEMBL25288908

CC(=O)OOc1ccc(Cl)cc1.OCCONOCCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KMT2A Q03164 6/20 0.35
NPC1 O15118 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 5/20 0.35
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL156135 0.82 HPGD (0.47) MAOAMAOBKMT2AHPGDMEN1
Diethanolamine SCHEMBL25288907 0.82 KDM4E (0.46) MAOAMAOBKMT2ANPC1SMN1; SMN2
SCHEMBL27406073 0.81 HPGD (0.46) MAOAMAOBKMT2AHPGDMEN1
SCHEMBL31532258 0.81 MEN1 (0.46) MAOAMAOBKMT2AHPGDMEN1
Ammonia Solution, Strong SCHEMBL22437492 0.81 HPGD (0.46) MAOAMAOBKMT2AHPGDMEN1
Ethylene Glycol SCHEMBL11232956 0.69 ALDH1A1 (0.42) MAOBKMT2AMEN1ALDH1A1MAPT
SCHEMBL10447890 0.69 PPARA (0.49) KMT2AMEN1PTGS2SMN1; SMN2PPARA
SCHEMBL10727330 0.68 CYP1A2 (0.44) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL27754997 0.67 CYP1A2 (0.44) MAOAMAOBKMT2AHPGDMEN1
Acetic Acid SCHEMBL502770 0.67 FFAR3 (0.37) KMT2AMEN1ALDH1A1

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
US-20230172194-A1 COMPOSITION INCLUDING EFFERVESCENT AGENTS, BIOSTIMULANT, NUTRIENT, AND PESTICIDE ROBBINS JEFFREY HANSON (US) 2023-06-08 US disclosed