SCHEMBL6206988

SCHEMBL6206988

CCC(=O)/C(N)=C(\C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.55
CES2 O00748 5/20 0.55
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
BLM P54132 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL6206584 0.86 CES2 (0.58) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL27726166 0.81 CES1 (0.48) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL2638462 0.78 CES1 (0.46) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL27908851 0.76 CES1 (0.52) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL5698372 0.76 CES1 (0.52) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL9818176 0.76 CES1 (0.52) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL8158420 0.75 CES1 (0.50) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL1982010 0.75 CES2 (0.50) CES1CES2MAPTL3MBTL1SMN1; SMN2
SCHEMBL20564211 0.75 CES1 (0.50) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL20564213 0.75 CES1 (0.50) CES1CES2MAPTL3MBTL1CYP3A4

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