SCHEMBL29199824

SCHEMBL29199824

COC(=O)[C@@H]1CO1.O=C(O)C1CO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
PDK1 Q15118 1/20 0.38
MIF P14174 3/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
POLB P06746 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 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
SCHEMBL29199825 1.00 PPM1B (0.42) PPM1BPTPN1PPP1CCPDK1MIF
SCHEMBL3754950 0.98 PPM1B (0.41) PPM1BPTPN1PPP1CCPDK1MIF
SCHEMBL8069072 0.98 PPM1B (0.41) PPM1BPTPN1PPP1CCPDK1MIF
SCHEMBL840388 0.91
SCHEMBL839706 0.91
SCHEMBL839705 0.91
SCHEMBL30912051 0.91 PDK1 (0.42) PPM1BPTPN1PPP1CCPDK1MIF
SCHEMBL3809389 0.88 PDK1 (0.41) PPM1BPTPN1PPP1CCPDK1MIF
SCHEMBL28813625 0.88 PDK1 (0.41) PPM1BPTPN1PPP1CCPDK1MIF
SCHEMBL31571897 0.88 PDK1 (0.41) PPM1BPTPN1PPP1CCPDK1MIF

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
CN-117945976-A Synthesis process of chiral indole-3-lactic acid 中国农业科学院饲料研究所 2024-04-30 CN claimed