SCHEMBL1923826

SCHEMBL1923826

O=C(O)CC(CCO)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.63
GABBR1 Q9UBS5 4/20 0.63
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL1861865 0.89 GABBR2 (0.59) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL14359785 0.86 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL503819 0.85 GABBR2 (0.76) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL3681104 0.85 CYP1A2 (0.53) GABBR2GABBR1LMNACYP2C19ADORA3
SCHEMBL2878463 0.84 GABBR2 (0.63) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL3728800 0.83 GABBR2 (0.68) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL28529442 0.83 ATM (0.59) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL6780687 0.83 FNTA (0.48) GABBR2GABBR1MEN1KMT2AFNTA
SCHEMBL6734410 0.83 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7092228 0.83 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 EP disclosed
WO-2020002136-A1 CATALYST BASED ON A BETA-SUBSTITUTED ESTER AND USE THEREOF IN A HYDROTREATMENT AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
EP-1817312-B1 MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US disclosed