SCHEMBL6162434

SCHEMBL6162434

O=C(O)C(Oc1cccs1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.47
PPARG P37231 4/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL21881381 1.00 PPARA (0.47) PPARAPPARGPOLBALDH1A1KDM4E
SCHEMBL4968147 0.84 ALOX5 (0.44) PPARAPPARGPOLBALDH1A1KDM4E
SCHEMBL3740253 0.76 KMT2A (0.51) PPARAPPARGALDH1A1KDM4ECYP2C19
SCHEMBL4560908 0.76 SLC1A3 (0.44) PPARAPPARGPOLBALDH1A1KDM4E
SCHEMBL7080315 0.76 CYP2C19 (0.42) PPARAPPARGPOLBALDH1A1KDM4E
SCHEMBL660871 0.75 KDM4E (0.55) PPARAPPARGALDH1A1KDM4ECYP2D6
SCHEMBL21881586 0.75 KDM4E (0.55) PPARAPPARGALDH1A1KDM4ECYP2D6
SCHEMBL13324879 0.75 KDM4E (0.55) PPARAPPARGALDH1A1KDM4ECYP2D6
SCHEMBL8207520 0.74 L3MBTL1 (0.50) POLBALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL11084533 0.73 SMN1; SMN2 (0.42) PPARAPPARGALDH1A1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109893528-B Use of koumine for treating lipid metabolism disorder and related diseases or symptoms thereof 福建医科大学 2022-12-06 CN disclosed
CN-105963676-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2020-02-18 CN disclosed
CN-102858361-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2016-08-03 CN disclosed
EP-1305301-B1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-4276294-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1981-06-30 US disclosed