SCHEMBL9986369

SCHEMBL9986369

CC1(C)Cc2cc(F)cc(COc3ccc4c(c3)CCC4C(=O)O)c2O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.46
SCN3A Q9NY46 2/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KMT2A Q03164 1/20 0.38
PPARA Q07869 2/20 0.37
MAOB P27338 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SCN9A Q15858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PPARD Q03181 2/20 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
SCHEMBL9985770 0.90 FFAR4 (0.46) GYS1KDM5AKDM4CPPARAFFAR4
SCHEMBL2462337 0.87 PPARD (0.52) PPARAPPARGPPARD
SCHEMBL2462339 0.87 PPARD (0.52) PPARAPPARGPPARD
SCHEMBL2999641 0.87 PPARD (0.52) PPARAPPARGPPARD
SCHEMBL2431887 0.84 FFAR1 (0.51) GYS1PPARAPPARGPPARD
SCHEMBL2467739 0.82 GYS1 (0.44) GYS1SCN3AKDM5AKDM4CKMT2A
Bicarbonate SCHEMBL14796760 0.79 GYS1 (0.47) GYS1KDM5AKDM4CKMT2AMAOB
SCHEMBL2431602 0.78 GYS1 (0.41) GYS1KDM5AKDM4CKMT2AMAOB
Bicarbonate SCHEMBL14796865 0.78 GYS1 (0.47) GYS1KDM5AKDM4CKMT2AMAOB
SCHEMBL2431388 0.77 KDM5A (0.47) GYS1KDM5AKDM4CKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582674-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2013-04-24 EP disclosed
WO-2011159297-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-22 WO disclosed