SCHEMBL28384705

SCHEMBL28384705

CCC(O)OC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 8/20 0.57
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
XDH P47989 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ESR1 P03372 2/20 0.51
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL39233 0.82 SERPINE1 (0.57) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL13739212 0.79 POLB (0.59) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL4733522 0.79 PRKCA (0.68) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL22529345 0.79 SERPINE1 (0.54) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL7930132 0.79 SERPINE1 (0.50) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL2962888 0.79 CA12 (0.48) LMNATDP1ESR1
SCHEMBL276309 0.77 CA12 (0.68) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL4733699 0.77 PRKCA (0.69) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL3088428 0.76 MAPT (0.43) GAAPRKCAPRKCD
SCHEMBL9513971 0.76 CA12 (0.61) LMNATDP1ESR1

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-111050748-A Anti-pollution composition containing bacillus coagulans 萨米莱布斯有限公司 2020-04-21 CN disclosed