SCHEMBL11664580

SCHEMBL11664580

CC(=O)NCCCC(O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 1/20 0.50
ADRA1A P35348 1/20 0.48
FOLH1 Q04609 1/20 0.46
PAOX Q6QHF9 3/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
TET3 O43151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL3350620 0.94 KDM4E (0.58) KDM4EMAPK1HIF1AGPR84FFAR1
SCHEMBL28351020 0.92 KDM4E (0.61) KDM4EMAPK1HIF1AGPR84FFAR1
SCHEMBL11686140 0.87 MTNR1A (0.50) KDM4EMAPK1HIF1AGPR84FFAR1
SCHEMBL11686147 0.87 MTNR1A (0.50) KDM4EMAPK1HIF1AGPR84FFAR1
SCHEMBL18125979 0.83 GPR84 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL3346616 0.79 GPR84 (0.45) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL3347293 0.79 GPR84 (0.45) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL24810742 0.78 KDM4E (0.58) KDM4EMAPK1HIF1AADRA1AFOLH1
SCHEMBL12601501 0.78 KDM4E (0.64) KDM4EMAPK1HIF1AADRA1AFOLH1
SCHEMBL2238055 0.78 OTC (0.57) KDM4EMAPK1HIF1AADRA1APAOX

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
JP-53015317-A None JP disclosed
JP-S5315317-A 5-ACETOAMINO-2-HYDROXYVALERIC ACID, ITS LOWER ESTERS, AND MODIFIER OF SMOKING TASTE OF TOBACCO CONTAINING SAID COMPOUNDS JAPAN TOBACCO INC 1978-02-13 JP disclosed