SCHEMBL25200032

SCHEMBL25200032

NC(C(=O)O)C(O)CO.O=C(O)C(=O)CCO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
PDE4A P27815 1/20 0.36
OR51E2 Q9H255 3/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SLC7A5 Q01650 1/20 0.32
SLC1A1 P43005 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
SCHEMBL131909 0.83
SCHEMBL131910 0.83
SCHEMBL443115 0.83
SCHEMBL28880988 0.81 USP2 (0.67) USP2SLCO1B1PDE4AOR51E2LMNA
Phosphoric Acid SCHEMBL28116580 0.75 USP2 (0.59) USP2SLCO1B1PDE4AOR51E2LMNA
SCHEMBL126796 0.73
SCHEMBL812543 0.70 USP2 (0.86) USP2SLCO1B1PDE4AOR51E2LMNA
SCHEMBL7148984 0.70 USP2 (0.86) USP2SLCO1B1PDE4AOR51E2LMNA
SCHEMBL5167211 0.70 USP2 (0.52) USP2SLCO1B1PDE4AOR51E2LMNA
Glucosaminic Acid SCHEMBL7642316 0.69 USP2 (1.00) USP2SLCO1B1PDE4AOR51E2LMNA

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-20230151394-A1 BIOLOGIC SYNTHESIS OF DIOLS FROM AMINO ACIDS Taizhou Simplu Technology Co., Ltd. (CN) 2023-05-18 US disclosed