SCHEMBL21136347

SCHEMBL21136347

CC(OCC(O)CO)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 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
SCHEMBL9419450 0.83 LMNA (0.38) LMNAUSP2ALDH1A1TDP1CYP1A2
SCHEMBL16508366 0.83 TDP1 (0.43) LMNATDP1KDM4EL3MBTL1TSHR
SCHEMBL19263925 0.83 TDP1 (0.43) LMNATDP1KDM4EL3MBTL1TSHR
SCHEMBL16093255 0.83 LMNA (0.38) LMNAUSP2ALDH1A1TDP1CYP1A2
SCHEMBL8533077 0.83 LMNA (0.38) LMNAUSP2ALDH1A1TDP1CYP1A2
SCHEMBL25382424 0.83 TSHR (0.38) LMNATDP1KDM4EL3MBTL1TSHR
SCHEMBL4440314 0.80 LMNA (0.40) LMNAUSP2ALDH1A1TDP1CYP1A2
SCHEMBL17917003 0.79 TDP1 (0.33) LMNATDP1L3MBTL1
Potassium Ion SCHEMBL27484919 0.79 USP2 (0.35) LMNAUSP2ALDH1A1TDP1CYP1A2
SCHEMBL21667524 0.77 USP2 (0.34) LMNAUSP2ALDH1A1TDP1CYP1A2

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-3723720-B1 NEW POLYOL POLYRHAMNOSIDES, PROCESS FOR THE PREPARATION THEREOF, AND COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING SAME SOC DEXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2022-01-05 EP disclosed
WO-2019115903-A1 NEW POLYOL POLYRHAMNOSIDES, PROCESS FOR THE PREPARATION THEREOF, AND COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING SAME SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2019-06-20 WO disclosed