SCHEMBL4668147

SCHEMBL4668147

CC(=O)Oc1c(I)n(Cc2ccc(O)cc2)c2cccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.41
PREP P48147 3/20 0.36
CELA1 Q9UNI1 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL27889024 0.87 PLA2G2A (0.42) PLA2G2APREPCELA1ALDH1A1MAPT
SCHEMBL27789996 0.84 PLA2G2A (0.40) PLA2G2APREPCELA1ALDH1A1MAPT
SCHEMBL2003295 0.78 PLA2G2A (0.51) PLA2G2A
SCHEMBL27789955 0.78 PLA2G2A (0.60) PLA2G2AALDH1A1MAPTLMNAKDM4E
SCHEMBL4668204 0.76 PLA2G2A (0.50) PLA2G2AMTNR1AMTNR1B
SCHEMBL27789956 0.75 PLA2G2A (0.48) PLA2G2AALDH1A1MAPTLMNAKDM4E
SCHEMBL27768508 0.73 PLA2G2A (0.40) PLA2G2A
SCHEMBL27889115 0.72 PLA2G2A (0.40) PLA2G2AALDH1A1MAPTLMNAKDM4E
SCHEMBL27790041 0.70 S1PR3 (0.37) PREPCELA1ALDH1A1MAPTLMNA
SCHEMBL2002183 0.68 PLA2G2A (0.49) PLA2G2A

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-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