SCHEMBL28085169

SCHEMBL28085169

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.58
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
KDM4E B2RXH2 2/20 0.37
AKR1B1 P15121 1/20 0.33
TOP1 P11387 1/20 0.31

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
SCHEMBL2937201 1.00 PDE4A (0.58) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL9818719 1.00 PDE4A (0.58) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL11274065 0.98 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL18177455 0.98 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29502274 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29506762 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL5919108 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29375023 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL818364 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL15948731 0.93 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2

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
CN-105693787-A 3-O-ammonia formyl mannose derivative containing alkynyl and preparation method and application of 3-O-ammonia formyl mannose derivative 华东师范大学 2016-06-22 CN disclosed
CN-105693787-A 3-O-ammonia formyl mannose derivative containing alkynyl and preparation method and application of 3-O-ammonia formyl mannose derivative 华东师范大学 2016-06-22 CN disclosed