SCHEMBL9839711

SCHEMBL9839711

Oc1c(Sc2cccc(C3CCCCC3)c2O)cccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.40
PTPN2 P17706 1/20 0.40
FEN1 P39748 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CEL P19835 1/20 0.35
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 3/20 0.35
KMO O15229 1/20 0.34
PTGS2 P35354 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 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
SCHEMBL4960398 0.84 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL4959318 0.84 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL201425 0.84 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL4958978 0.84 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL4958862 0.84 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL4960831 0.82 PTPN5 (0.44) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL11292126 0.81 CEL (0.42) PTPN5PTPN2PTGDR2CELNUDT1
SCHEMBL5887367 0.80 PTGDR2 (0.41) PTGDR2CELPTGS2CETP
SCHEMBL21626185 0.79 PTPN5 (0.52) PTPN5PTPN2FEN1PTGDR2HDAC4
SCHEMBL1053897 0.79 HDAC4 (0.46) PTPN5PTPN2FEN1PTGDR2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245792-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC-ACID ESTERS BAYER AG (DE) 1991-06-12 EP disclosed
EP-0245792-A2 Process for the preparation of carboxylic-acid esters BAYER AG (DE) 1987-11-19 EP disclosed
US-4225483-A Boric acid esters and oxetanes for stabilizing phosphite-free polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
EP-0001823-A2 Use of esters of boric acid to stabilize phosphite-free polycarbonates, and the obtained stabilized polycarbonate moulding compositions BAYER AG (DE) 1979-05-16 EP disclosed