SCHEMBL11201601

SCHEMBL11201601

CC(CO)Cn1ccc(=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 2/20 0.33
KMT2A Q03164 1/20 0.32
TYR P14679 1/20 0.30
DOHH Q9BU89 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PDE4B Q07343 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
SCHEMBL12763761 0.79 SMN1; SMN2 (0.41) SMN1; SMN2KMT2APDE4B
SCHEMBL10480781 0.77 TRPA1 (0.36) SMN1; SMN2TRPA1KMT2A
SCHEMBL7350683 0.76 TSHR (0.35) KAT2BTRPA1KDM4E
Hydrochloric Acid SCHEMBL9248892 0.72 LMNA (0.32)
SCHEMBL17924830 0.67 MGLL (0.44) KAT2BSMN1; SMN2
SCHEMBL15785094 0.65 ALDH1A1 (0.51) KMT2AKDM4E
SCHEMBL7296263 0.65 ALDH1A1 (0.51) KMT2AKDM4E
SCHEMBL4681306 0.64 FDPS (0.50)
SCHEMBL10049650 0.64 FGFR1 (0.56) KAT2B
SCHEMBL28287982 0.63 KAT2B (0.42) KAT2BTRPA1KDM4E

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-0094149-A2 Pharmaceutical compositions containing a complex of iron with N-substituted 3-hydroxypyrid-2-one or -4-one derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-11-16 EP claimed
EP-0093498-A2 Pharmaceutical compositions containing N-substituted-3-hydroxypyrid-2-one or -4-one derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-11-09 EP claimed