SCHEMBL4732303

SCHEMBL4732303

CC(=O)Oc1ccc(C(C=O)OS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 5/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP3A4 P08684 2/20 0.43
ESR1 P03372 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ABCB11 O95342 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
STAT6 P42226 1/20 0.43
HIF1A Q16665 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL4729274 0.81 LMNA (0.51) MAPTPKMPOLBLMNAKDM4E
SCHEMBL4731661 0.81 CA1 (0.42) PKMTSHRKMT2APTGS2ALDH1A1
SCHEMBL13877485 0.80 MAPT (0.51) MAPTPKMPOLBLMNAKDM4E
SCHEMBL1824697 0.76 ENPP3 (0.36) MAPTPKMPOLBKDM4ECYP3A4
SCHEMBL4731665 0.76 ALDH1A1 (0.37) PTGS2GAAALDH1A1
SCHEMBL4731943 0.76 ADRB2 (0.35) CYP3A4TSHRHIF1AHSD17B10PTGS2
SCHEMBL19717861 0.75 KMT2A (0.37) MAPTPOLBLMNAKDM4ECYP3A4
SCHEMBL4731570 0.73 GRIA4 (0.43) MAPTLMNAKDM4ECYP3A4CYP2C9
SCHEMBL15019127 0.73 MEN1 (0.43) MAPTPKMPOLBLMNAKDM4E
SCHEMBL8069881 0.72 LMNA (0.50) MAPTPKMPOLBLMNAKDM4E

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
WO-2008054155-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO disclosed