SCHEMBL6205911

SCHEMBL6205911

O=C(O)C(=COc1cccc(F)c1F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
PARP10 Q53GL7 1/20 0.35
CXCL8 P10145 1/20 0.35
SLC2A1 P11166 1/20 0.35
SLC2A4 P14672 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6206649 0.89 AKR1C1 (0.44) AKR1C1MRGPRX4KMT2AMEN1POLB
SCHEMBL6206216 0.76 AKR1C1 (0.44) AKR1C1KMT2AMEN1POLBALDH1A1
SCHEMBL6208071 0.76 AKR1C1 (0.44) AKR1C1KMT2AMEN1POLBALDH1A1
SCHEMBL6207378 0.76 POLB (0.49) AKR1C1MRGPRX4KMT2AMEN1POLB
SCHEMBL6207451 0.76 AKR1C1 (0.41) AKR1C1MRGPRX4KMT2AMEN1POLB
SCHEMBL6206194 0.74 L3MBTL1 (0.43) AKR1C1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL19640358 0.73 AKR1C1 (0.52) AKR1C1KMT2AMEN1ALDH1A1CES2
SCHEMBL6205776 0.73 ALDH1A1 (0.55) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6187374 0.73 AKR1C1 (0.47) AKR1C1KMT2AMEN1POLBALDH1A1
SCHEMBL10180669 0.72 KMT2A (0.58) MRGPRX4KMT2AMEN1POLBMAPT

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