SCHEMBL16106002

SCHEMBL16106002

CC1(C)Cc2c(COc3c(F)cc(OC(=O)C4CC4)cc3F)cccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
FFAR4 Q5NUL3 3/20 0.37
KCNH2 Q12809 4/20 0.36
CCR8 P51685 3/20 0.36
POLB P06746 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL16105941 0.86 KDM5A (0.47) FFAR4POLBKDM5AKDM4CKMT2A
SCHEMBL16106013 0.85 FFAR4 (0.36) MAOBFFAR4POLBMTNR1BKDM5A
SCHEMBL2434798 0.78 FFAR4 (0.44) MAOBFFAR4KCNH2CCR8KDM5A
SCHEMBL2432717 0.77 FFAR4 (0.45) MAOBFFAR4KCNH2CCR8KDM5A
SCHEMBL16106041 0.70 GYS1 (0.45) MAOBFFAR4KDM5AKDM4CKMT2A
Bicarbonate SCHEMBL14796813 0.69 KDM5A (0.48) FFAR4POLBKDM5AKDM4CKMT2A
SCHEMBL2432324 0.69 MAOB (0.42) MAOBFFAR4ALDH1A1KDM4EHSD17B10
SCHEMBL2431970 0.68 FFAR1 (0.47) MAOBFFAR4KCNH2CCR8
SCHEMBL2433607 0.67 FFAR4 (0.52) FFAR4
SCHEMBL14961222 0.67 CCR8 (0.41) MAOBKCNH2CCR8MTNR1AMTNR1B

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
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP claimed