SCHEMBL8475304

SCHEMBL8475304

COc1ccc([C@@H](O)C(=O)OC(=O)[C@H](O)c2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
AOC3 Q16853 2/20 0.44
ACP3 P15309 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 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
SCHEMBL9662942 0.91 NPSR1 (0.42) CES2CES1NPSR1MEN1RAB9A
SCHEMBL11208244 0.90 GRM8 (0.44) NPSR1MEN1RAB9AKMT2ACA1
SCHEMBL11208763 0.90 GRM8 (0.44) NPSR1MEN1RAB9AKMT2ACA1
SCHEMBL1533373 0.88 RAB9A (0.50) CES2CES1NPSR1MEN1RAB9A
SCHEMBL1566713 0.88 RAB9A (0.50) CES2CES1NPSR1MEN1RAB9A
SCHEMBL14621033 0.85 AOC3 (0.46) CES2CES1NPSR1MEN1RAB9A
SCHEMBL7829230 0.83 CASP1 (0.46) NPSR1MEN1RAB9AKMT2AACP3
SCHEMBL11106829 0.83 ALOX15 (0.54) KMT2ACA1CA2AOC3ALOX15
SCHEMBL5319395 0.82 CES2 (0.48) CES2CES1NPSR1MEN1RAB9A
SCHEMBL4634271 0.82 TSHR (0.56) CES2CES1NPSR1RAB9ACA1

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-0929567-A1 IMPROVED SOLID-PHASE PEPTIDE SYNTHESIS AND AGENT FOR USE IN SUCH SYNTHESIS Zealand Pharmaceuticals A/S (DK) 1999-07-21 EP claimed
WO-1998011125-A1 IMPROVED SOLID-PHASE PEPTIDE SYNTHESIS AND AGENT FOR USE IN SUCH SYNTHESIS ZEALAND PHARMACEUTICALS A/S (DK) 1998-03-19 WO claimed
EP-0929567-A1 IMPROVED SOLID-PHASE PEPTIDE SYNTHESIS AND AGENT FOR USE IN SUCH SYNTHESIS Zealand Pharmaceuticals A/S (DK) 1999-07-21 EP disclosed
WO-1998011125-A1 IMPROVED SOLID-PHASE PEPTIDE SYNTHESIS AND AGENT FOR USE IN SUCH SYNTHESIS ZEALAND PHARMACEUTICALS A/S (DK) 1998-03-19 WO disclosed