SCHEMBL588784

SCHEMBL588784

CC(O)c1ccccc1Sc1ccccc1C(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
HTR2C P28335 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
HIF1A Q16665 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 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
SCHEMBL19016906 0.84 SLC6A2 (0.40) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL23489934 0.84 SLC6A2 (0.40) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL30389926 0.80 GABRA1 (0.48) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL4808650 0.80 GABRA1 (0.48) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL5101317 0.79 GABRA1 (0.50) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL5101318 0.79 GABRA1 (0.50) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL382010 0.79 GABRA1 (0.50) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL13752008 0.77 GABRA1 (0.33) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL4143745 0.76 P2RX7 (0.37) GABRA1GABRB2HTR2CTSHRLMNA
SCHEMBL587834 0.76 GABRA1 (0.34) GABRA1GABRB2HTR2CTSHRLMNA

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
CN-111393683-B Modified cationic microgel and preparation method and application thereof 广东科德环保科技股份有限公司 2023-05-23 CN disclosed
US-8115046-B2 Micro encapsulation composition for hydrocarbons and detoxification of highly hazardous chemicals and substances RTA SYSTEMS, INC. (US) 2012-02-14 US disclosed
US-20090245939-A1 DUAL-USE MICRO ENCAPSULATION COMPOSITION FOR HYDROCARBONS AND DETOXIFICATION OF HIGHLY HAZARDOUS CHEMICALS AND SUBSTANCES RTA SYSTEMS, INC. (US) 2009-10-01 US disclosed
EP-0325187-A1 4-alkyl-1, 4-dihydropyridines with PAF-antagonist activity ALTER, S.A. (ES) 1989-07-26 EP disclosed