SCHEMBL14643178

SCHEMBL14643178

O=C(O)C(O)CC(O)[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.57
PDE4A P27815 1/20 0.46
USP2 O75604 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TET2 Q6N021 6/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 2/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TET1 Q8NFU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC1A1 P43005 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL6839524 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL6839428 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL3776280 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL3781040 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL6838462 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL13062508 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL13015306 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL640339 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL3776284 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL8573155 1.00 OR51E2 (0.57) OR51E2PDE4AUSP2SLCO1B1SMN1; 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
US-20130017593-A1 Biological Synthesis of Difunctional Hexanes and Pentanes from Carbohydrate Feedstocks CELEXION, LLC (US) 2013-01-17 US disclosed