SCHEMBL27465320

SCHEMBL27465320

O=C(O)CC(F)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
KMT2A Q03164 4/20 0.50
PKM P14618 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 2/20 0.50
PTPN1 P18031 1/20 0.50
PTPN7 P35236 1/20 0.50
BLM P54132 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP2C19 P33261 3/20 0.49
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 2/20 0.42
AGTR1 P30556 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL27908862 0.83 ALDH1A1 (0.46) MIFKMT2APKML3MBTL1POLB
SCHEMBL4453575 0.78 KMT2A (0.62) MIFKMT2APKML3MBTL1POLB
SCHEMBL3814849 0.78 KMT2A (0.62) MIFKMT2APKML3MBTL1POLB
SCHEMBL11854703 0.77 MIF (0.56) MIFKMT2APKML3MBTL1POLB
SCHEMBL11392151 0.77 MIF (0.56) MIFKMT2APKML3MBTL1POLB
SCHEMBL1207891 0.77 MIF (0.56) MIFKMT2APKML3MBTL1POLB
SCHEMBL3869074 0.77 MIF (0.56) MIFKMT2APKML3MBTL1POLB
SCHEMBL12463285 0.77 MIF (0.56) MIFKMT2APKML3MBTL1POLB
SCHEMBL5720999 0.77 MIF (0.56) MIFKMT2APKML3MBTL1POLB
SCHEMBL11562396 0.76 MIF (0.54) MIFKMT2APKML3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1154696-A Deacetoxytaxol derivative DAIICHI SEIYAKU CO (JP) 1997-07-16 CN disclosed