SCHEMBL4664582

SCHEMBL4664582

CCc1c(OC(C)=O)c2ccc(O)cc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.54
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MITF O75030 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SRC P12931 1/20 0.41
S1PR3 Q99500 1/20 0.41
CNR2 P34972 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
SCHEMBL27768455 0.91 PLA2G2A (0.62) PLA2G2AMAPTKDM4EGAAPKM
SCHEMBL27790054 0.86 PLA2G2A (0.61) PLA2G2AMAPTKDM4EGAAPKM
SCHEMBL27768492 0.83 S1PR3 (0.53) PLA2G2AMAPTKDM4EGAAPKM
SCHEMBL2004858 0.81 PLA2G2A (0.58) PLA2G2AMAPTKDM4EGAAPKM
SCHEMBL2002551 0.79 PLA2G2A (0.68) PLA2G2A
SCHEMBL27789965 0.79 FABP4 (0.43) PLA2G2AMAPTKDM4EGAAPKM
SCHEMBL4668204 0.78 PLA2G2A (0.50) PLA2G2AMTNR1AMTNR1B
SCHEMBL27768447 0.75 S1PR3 (0.48) PLA2G2AS1PR3
SCHEMBL27905705 0.75 S1PR3 (0.46) PLA2G2AMAPTKDM4EGAAPKM
SCHEMBL2005006 0.74 PLA2G2A (0.50) PLA2G2AMAPTKDM4EGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed