SCHEMBL4668113

SCHEMBL4668113

CC(=O)Oc1cn(Cc2ccccc2)c2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SERPINE1 P05121 1/20 0.44
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL27768465 0.90 PLA2G2A (0.58) PLA2G2AMAPTTP53LMNAALDH1A1
SCHEMBL9056926 0.85 LMNA (0.58) TP53LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL2003405 0.78 SERPINE1 (0.59) PLA2G2AMAPTLMNAALDH1A1SERPINE1
SCHEMBL4668109 0.77 PLA2G2A (0.46) PLA2G2ATP53LMNAALDH1A1L3MBTL1
SCHEMBL4665211 0.76 SLC22A6 (0.43) MAPTTP53LMNAALDH1A1L3MBTL1
SCHEMBL27923785 0.76 CYP3A4 (0.40) ALDH1A1GAAKDM4E
SCHEMBL2008137 0.75 PLA2G2A (0.65) PLA2G2ALMNAALDH1A1SERPINE1
SCHEMBL28774126 0.75 PLA2G2A (0.49) PLA2G2ALMNAALDH1A1L3MBTL1MAPK1
SCHEMBL9030278 0.74 LMNA (0.61) MAPTTP53LMNAALDH1A1GAA
SCHEMBL9056108 0.74 LMNA (0.55) PLA2G2AMAPTTP53LMNAALDH1A1

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