SCHEMBL19903731

SCHEMBL19903731

O=C(OC1COC2C(O)CO[C@@H]12)c1cc(O)c(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.55
▸ PTPN1 P18031 3/20 0.54
▸ SYNJ2 O15056 1/20 0.46
▸ BCHE P06276 2/20 0.45
▸ PRKD3 O94806 2/20 0.44
▸ PRKCG P05129 2/20 0.44
▸ PRKCB P05771 2/20 0.44
▸ PRKCA P17252 2/20 0.44
▸ PRKCH P24723 2/20 0.44
▸ PRKCI P41743 2/20 0.44
▸ PRKCE Q02156 2/20 0.44
▸ PRKCQ Q04759 2/20 0.44
▸ PRKCZ Q05513 2/20 0.44
▸ PRKCD Q05655 2/20 0.44
▸ PRKD1 Q15139 2/20 0.44
▸ DYRK1A Q13627 4/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ HSP90AB1 P08238 2/20 0.43
▸ MET P08581 1/20 0.43
▸ BCL2 P10415 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
SCHEMBL19903720 1.00 SERPINE1 (0.55) SERPINE1PTPN1SYNJ2BCHEPRKD3
SCHEMBL19903744 0.93 SERPINE1 (0.63) SERPINE1PTPN1SYNJ2BCHEPRKD3
SCHEMBL19903721 0.86 SERPINE1 (0.55) SERPINE1PTPN1SYNJ2BCHEPRKD3
SCHEMBL19178469 0.83 BCHE (0.57) PTPN1BCHEMAPT
SCHEMBL12411488 0.81 BCHE (0.59) PTPN1BCHEMAPT
SCHEMBL12702983 0.81 BCHE (0.59) PTPN1BCHEMAPT
SCHEMBL12942000 0.81 BCHE (0.59) PTPN1BCHEMAPT
SCHEMBL12411490 0.81 BCHE (0.59) PTPN1BCHEMAPT
SCHEMBL19903648 0.81 BCHE (0.53) SERPINE1PTPN1BCHEDYRK1AIGF1R
SCHEMBL1157264 0.80 PTPN1 (0.49) PTPN1BCHE

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-3287462-A1 ISOSORBIDE DERIVATIVES TO TREAT BACTERIAL BIOFILMS NITTO DENKO CORPORATION (JP) 2018-02-28 — — EP disclosed
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