SCHEMBL1462389

SCHEMBL1462389

COC(=O)/C(=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
MAPT P10636 3/20 0.58
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
JAK2 O60674 1/20 0.48
KMT2A Q03164 2/20 0.44
ALOX5 P09917 2/20 0.44
VCP P55072 1/20 0.44
GLA P06280 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1462390 1.00 ALDH1A1 (0.65) ALDH1A1MAPTJUNNFKB1KDM4E
SCHEMBL11938178 0.95 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1GAA
SCHEMBL2457630 0.87 ALDH1A1 (0.62) ALDH1A1MAPTJUNNFKB1KDM4E
SCHEMBL2457625 0.87 ALDH1A1 (0.62) ALDH1A1MAPTJUNNFKB1KDM4E
SCHEMBL10464264 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL10465344 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL11289654 0.84 ALDH1A1 (0.65) ALDH1A1MAPTJUNNFKB1KDM4E
SCHEMBL2457107 0.84 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KDM4E
SCHEMBL10747248 0.84 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KDM4E
SCHEMBL2457110 0.84 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473199-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS Brain Watch Ltd. (IL) 2012-07-11 EP disclosed
US-20120156139-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEROF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2012-06-21 US disclosed
WO-2011024156-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2011-03-03 WO disclosed