SCHEMBL16585686

SCHEMBL16585686

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.59
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPN11 Q06124 1/20 0.49
ESR1 P03372 2/20 0.46
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TYR P14679 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL18585793 1.00 SERPINE1 (0.59) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL18585722 0.98 SERPINE1 (0.58) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL18585433 0.97 SERPINE1 (0.59) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL18585589 0.90 SERPINE1 (0.63) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL16144965 0.88 SERPINE1 (0.61) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL16144977 0.88 SERPINE1 (0.61) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL16144972 0.87 SERPINE1 (0.63) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL2731285 0.85 SERPINE1 (0.54) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL28044238 0.85 SERPINE1 (0.54) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL17779375 0.85 PTPN1 (0.61) SERPINE1PTPN1PTPN2PTPN11ESR1

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-3046572-A1 CHLOROTOXIN CONJUGATES AND METHODS OF USE THEREOF Blaze Bioscience, Inc. (US) 2016-07-27 EP disclosed
WO-2015042202-A1 CHLOROTOXIN CONJUGATES AND METHODS OF USE THEREOF Blaze Bioscience, Inc. (US) 2015-03-26 WO disclosed