SCHEMBL28506501

SCHEMBL28506501

O=C1CC(O)(c2ccccc2)Oc2c(O)c(O)c(O)c(O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
HSP90AA1 P07900 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
EGFR P00533 2/20 0.34
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
TYMS P04818 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL27681022 0.84 RIPK1 (0.46) RIPK1GAANPSR1NPC1ATM
SCHEMBL27789415 0.83 PTPN1 (0.44) RIPK1EGFRGAANPSR1NPC1
SCHEMBL27957100 0.83 RIPK1 (0.45) RIPK1HSP90AA1GAANPSR1NPC1
SCHEMBL28502700 0.82 RIPK1 (0.47) RIPK1HSP90AA1GAANPSR1NPC1
SCHEMBL27767398 0.80 RIPK1 (0.45) RIPK1HSP90AA1GAANPSR1NPC1
SCHEMBL27957133 0.80 RIPK1 (0.45) RIPK1HSP90AA1GAANPSR1NPC1
SCHEMBL27661012 0.79 RIPK1 (0.52) RIPK1GAANPSR1NPC1ATM
SCHEMBL27883671 0.78 RIPK1 (0.51) RIPK1HSP90AA1EGFRNPC1ALDH1A1
SCHEMBL28031012 0.78 RIPK1 (0.51) RIPK1HSP90AA1EGFRNPC1ALDH1A1
SCHEMBL28500347 0.77 RIPK1 (0.47) RIPK1GAANPSR1NPC1ATM

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-108186775-B Mild wound disinfectant and preparation process thereof 南通东康医疗科技有限公司 2020-12-29 CN disclosed