SCHEMBL10034767

SCHEMBL10034767

NCCC1=C(CCN)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.60
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
MAPK1 P28482 3/20 0.58
TSHR P16473 3/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 3/20 0.58
MAOB P27338 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
STAT3 P40763 2/20 0.51
ELANE P08246 6/20 0.47
CTSG P08311 5/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 5/20 0.46

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
Anthrarufin SCHEMBL29363946 0.77 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL187843 0.77 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29874705 0.77 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL10034772 0.76 MAPT (0.55) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL10034768 0.76 P4HB (0.55) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL30544826 0.75 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL28419741 0.75 MAOA (0.95) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL29356886 0.75 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL83688 0.75 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL10034852 0.73 STAT3 (0.60) MAOAMAPTALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004543-A1 DEVICE FOR DETECTING MOLECULES OF INTEREST, ITS MANUFACTURING PROCESS AND ITS USE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-01-12 WO disclosed