SCHEMBL6208809

SCHEMBL6208809

C=C(N)C(=O)OC(=O)c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CTSD P07339 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
NPC1 O15118 5/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
STAT3 P40763 1/20 0.44
ABCG2 Q9UNQ0 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
SCHEMBL28953526 0.85 HPGD (0.49) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL717176 0.83 HPGD (0.57) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL446339 0.82 HPGD (0.59) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6205116 0.80 NPC1 (0.50) HPGDALDH1A1RAB9ASMN1; SMN2ESR1
SCHEMBL125031 0.79 HPGD (0.56) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6207827 0.78 HPGD (0.52) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7172322 0.78 HPGD (0.54) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL554492 0.78 HPGD (0.54) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL11267813 0.77 NPC1 (0.54) HPGDALDH1A1RAB9ACTSDESR1
SCHEMBL6207031 0.77 CES2 (0.47) HPGDALDH1A1RAB9AL3MBTL1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed