SCHEMBL27768472

SCHEMBL27768472

CC(=O)Oc1c(C(C)C)n(Cc2ccccc2O)c2cccc(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.36
ALOX5AP P20292 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NPY1R P25929 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
IDO1 P14902 2/20 0.33

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
SCHEMBL27789956 0.88 PLA2G2A (0.48) PLA2G2AKDM4EALDH1A1MAPTLMNA
SCHEMBL27789996 0.85 PLA2G2A (0.40) PLA2G2AKDM4EALDH1A1MAPTLMNA
SCHEMBL27889115 0.83 PLA2G2A (0.40) PLA2G2AALOX5APKDM4EALDH1A1MAPT
SCHEMBL27768508 0.83 PLA2G2A (0.40) PLA2G2AS1PR3BRD4
SCHEMBL27790037 0.81 KDM4E (0.39) ALOX5APKDM4EALDH1A1MAPTHTT
SCHEMBL27768470 0.81 S1PR3 (0.41) PLA2G2AKDM4EALDH1A1MAPTHTT
SCHEMBL27789959 0.81 L3MBTL1 (0.44) PLA2G2AKDM4EALDH1A1MAPTHTT
SCHEMBL2012434 0.80 PLA2G2A (0.40) PLA2G2AALOX5APKDM4EALDH1A1MAPT
SCHEMBL2005751 0.78 PLA2G2A (0.46) PLA2G2AALOX5APKDM4EALDH1A1MAPT
SCHEMBL27789955 0.72 PLA2G2A (0.60) PLA2G2AKDM4EALDH1A1MAPTLMNA

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