SCHEMBL17690451

SCHEMBL17690451

C=C(O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.44
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
FUT7 Q11130 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLA1 P09884 1/20 0.39
ANTXR2 P58335 1/20 0.39
NSD2 O96028 1/20 0.39
TP53 P04637 2/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL3227970 0.90 SERPINE1 (0.47) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL20283415 0.90 SERPINE1 (0.47) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL13430929 0.89 SERPINE1 (0.44) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL13456982 0.83 POLB (0.49) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL12556850 0.83 SERPINE1 (0.42) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL11986812 0.83 POLB (0.49) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL20283461 0.79 SERPINE1 (0.49) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL3227964 0.79 SERPINE1 (0.49) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL11987181 0.78 POLB (0.49) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL11986809 0.78 SERPINE1 (0.46) SERPINE1POLBKDM4ELMNAFUT7

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
EP-2461786-B1 PROTECTIVE COMPOSITIONS FOR DERMAL PAPILLA CELLS SAMI LABS LTD (IN) 2016-04-20 EP disclosed