SCHEMBL27790010

SCHEMBL27790010

CC(=O)Oc1c(C)n(C(=O)C2CCCCC2)c2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
HTT P42858 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 3/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL27905740 0.80 CNR2 (0.41) GAAHTTMAPTKMT2AMEN1
SCHEMBL2005833 0.77 PTGS2 (0.57) GAAMAPTKMT2AMEN1LMNA
SCHEMBL8673753 0.75 HTR6 (0.43) GAAHTTMAPTKMT2AMEN1
SCHEMBL2004074 0.73 PTGS1 (0.58) GAAMAPTKMT2AMEN1LMNA
SCHEMBL6024850 0.73 HTT (0.43) GAAHTTMAPTKMT2AMEN1
SCHEMBL6025108 0.72 CNR2 (0.47) GAAHTTMAPTKMT2AMEN1
SCHEMBL6025591 0.71 PTGS2 (0.48) HTTMAPTKMT2AMEN1HPGD
SCHEMBL5799040 0.71 PTGS2 (0.46) GAAHTTMAPTKMT2AMEN1
SCHEMBL5553721 0.71 AKR1C3 (0.44) HTTMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL6025282 0.70 PTGS1 (0.47) HTTMAPTKMT2AHPGDSMN1; SMN2

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
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