SCHEMBL375631

SCHEMBL375631

O=C(O)C(O)C1CCCCC/C=C\1Br

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.34
SLC6A1 P30531 2/20 0.32
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD11B1 P28845 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL375632 1.00 HIF1A (0.34) HIF1ASLC6A1THRATHRBKDM4E
SCHEMBL620140 0.83 SLC6A3 (0.38)
SCHEMBL620138 0.83 SLC6A3 (0.38)
SCHEMBL620139 0.69 CYP2D6 (0.32) HIF1ASLC6A1
SCHEMBL9791343 0.67 HIF1A (0.41) HIF1AHSD11B1KMT2A
SCHEMBL16915138 0.66 HIF1A (0.31) HIF1A
SCHEMBL16915137 0.66 HIF1A (0.31) HIF1A
SCHEMBL6287504 0.66 CYP2D6 (0.43) KDM4EKMT2A
SCHEMBL11711489 0.64 HIF1A (0.32) HIF1A
SCHEMBL11711499 0.64 HIF1A (0.32) HIF1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314566-B1 Process for the functionalization of biological molecules COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-01-24 EP disclosed
EP-2408792-B1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-20 EP disclosed
EP-2408793-B1 METHOD FOR SURFACE FUNCTIONALISATION BY DISUBSTITUTED ALKYNES COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-07-23 EP disclosed
EP-2161239-B1 Semiconductor nanocrystals COMMISSARIAT ENERGIE ATOMIQUE (FR) 2014-04-30 EP disclosed
EP-2408792-A1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-01-25 EP disclosed
EP-2408793-A1 METHOD FOR SURFACE FUNCTIONALISATION BY DISUBSTITUTED ALKYNES Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-01-25 EP disclosed
EP-2314566-A1 Process for the functionalization of biological molecules Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2011-04-27 EP disclosed
WO-2010106246-A1 METHOD FOR SURFACE FUNCTIONALISATION BY DISUBSTITUTED ALKYNES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-09-23 WO disclosed
WO-2010106245-A1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-09-23 WO disclosed
EP-2161239-A1 Semiconductor nanocrystals Commissariat à l'Energie Atomique (FR) 2010-03-10 EP disclosed