SCHEMBL21540103

SCHEMBL21540103

CC/C(C)=N\OC(C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
ALOX15 P16050 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30
MAOB P27338 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14866605 0.82 ALOX15 (0.34) ALOX15SLC22A6LMNASMN1; SMN2
SCHEMBL8423797 0.75
SCHEMBL23829671 0.73
SCHEMBL18088500 0.72
SCHEMBL6741243 0.72 LMNA (0.37) FFAR3LMNA
SCHEMBL16917416 0.71
Propionic Acid SCHEMBL28232514 0.69 FFAR3 (0.48) FFAR3ALOX15SLC22A6SMN1; SMN2
SCHEMBL2738372 0.67 FFAR3 (0.39) FFAR3ALOX15SLC22A6LMNASMN1; SMN2
SCHEMBL15910178 0.67 SLC22A6 (0.43) FFAR3ALOX15SLC22A6LMNASMN1; SMN2
SCHEMBL4683182 0.66 ALOX15 (0.57) ALOX15SLC22A6LMNASMN1; SMN2

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-3275874-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-30 EP disclosed