SCHEMBL9558576

SCHEMBL9558576

O=C(O)C(O)C(OCCC(O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PGD P52209 2/20 0.35
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
SLC1A3 P43003 3/20 0.31
SLC1A2 P43004 3/20 0.31
SLC1A1 P43005 3/20 0.31
TET2 Q6N021 3/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 1/20 0.30

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
SCHEMBL28208868 0.82 GABRP (0.41) TSHRPGDSLC1A3SLC1A2SLC1A1
SCHEMBL28101475 0.82 TSHR (0.39) TSHRPGDCYP2C9PDE4ASLC1A3
SCHEMBL234927 0.82 TSHR (0.39) TSHRPGDCYP2C9PDE4ASLC1A3
SCHEMBL28845741 0.80 TSHR (0.38) TSHRPGDCYP2C9PDE4A
SCHEMBL3463165 0.78 TSHR (0.36) TSHRPGDCYP2C9PDE4A
SCHEMBL2979038 0.77 ATM (0.41) TSHRPGD
SCHEMBL4258142 0.75 CHRM1 (0.41) TSHRPGD
Ethylene Glycol SCHEMBL3741933 0.75 PGD (0.35) TSHRPGDCYP2C9PDE4A
SCHEMBL27720867 0.75 ATM (0.39) TSHRPGD
SCHEMBL14721767 0.75 RARB (0.41) PGDKDM4AKDM4CKDM2A

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-5201945-A Mixture of water soluble polysaccharide and organic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-04-13 US disclosed