SCHEMBL4715248

SCHEMBL4715248

CC(C=O)C(=O)O.COC(=O)C(C)C=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.33
MME P08473 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TP53 P04637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
Bicarbonate SCHEMBL5490826 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ACA14CA12MME
SCHEMBL222114 0.91
SCHEMBL918816 0.83 TP53 (0.44) TP53
SCHEMBL188462 0.83
SCHEMBL3490802 0.83
SCHEMBL60935 0.83
Alanine SCHEMBL15566103 0.73 SLC7A5 (0.42) SLC1A3SLC1A2SLC1A1TP53
SCHEMBL6852534 0.72 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ACA14CA12MME
SCHEMBL3446639 0.72 TSHR (0.36)
SCHEMBL6648517 0.72 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ACA14CA12MME

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-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed