SCHEMBL3692471

SCHEMBL3692471

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.37
TET2 Q6N021 6/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 2/20 0.34
GPR84 Q9NQS5 3/20 0.34
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
FFAR1 O14842 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TET1 Q8NFU7 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
SCHEMBL16600433 0.93 OR51E2 (0.40) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL15841419 0.83 OR51E2 (0.43) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL7352571 0.83 OR51E2 (0.43) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL5703642 0.79 PDE4A (0.60) OR51E2SMN1; SMN2PDE4ATET2KDM4A
SCHEMBL26138103 0.79 PDE4A (0.60) OR51E2SMN1; SMN2PDE4ATET2KDM4A
SCHEMBL28410668 0.78 OR51E2 (0.43) OR51E2TP53SMN1; SMN2TET2KDM4A
SCHEMBL29988177 0.78 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL18585709 0.77 PDE4A (0.58) OR51E2SMN1; SMN2PDE4ATET2KDM4A
SCHEMBL18585300 0.77 PDE4A (0.58) OR51E2SMN1; SMN2PDE4ATET2KDM4A
SCHEMBL26138081 0.76 PDE4A (0.50) OR51E2SMN1; SMN2PDE4ATET2KDM4A

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-2396009-A1 COMPOSITIONS FOR THE TREATMENT OF APHTHOUS STOMATITIS Bonucci, Monica (IT) 2011-12-21 EP disclosed
WO-2010092534-A1 COMPOSITIONS FOR THE TREATMENT OF APHTHOUS STOMATITIS BONUCCI MONICA (IT) 2010-08-19 WO disclosed