SCHEMBL7695481

SCHEMBL7695481

C=CCO[C@](CC=C)(C(N)=O)[C@](CC=C)(OCC=C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL5671227 0.81 MAPT (0.33) MAPTCACNA1BAPBA1HTT
SCHEMBL28430072 0.75 HTT (0.35) MAPTCACNA1BAPBA1HTT
SCHEMBL7590961 0.73 HTT (0.34) MAPTCACNA1BAPBA1HTT
SCHEMBL18498604 0.72 MAPT (0.33) MAPTCACNA1BAPBA1TSHR
SCHEMBL3942986 0.71 MAPT (0.33) MAPTCACNA1BAPBA1HTT
SCHEMBL28401523 0.71 LMNA (0.43) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL15105913 0.69 TSHR (0.35) HTTTSHRALDH1A1
SCHEMBL9305418 0.69 HTT (0.42) MAPTHTTTSHRALDH1A1
SCHEMBL623307 0.69
SCHEMBL10771737 0.69 HTT (0.42) MAPTHTTTSHRALDH1A1

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-2002042288-A1 PROCESS FOR PREPARING (-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXYLIC ACID, AND (-)-CHIRAL STATIONARY PHASES FOR RESOLUTION OF RACEMIC COMPOUNDS USING THE SAME RSTECH CO., LTD (KR) 2002-05-30 WO disclosed