SCHEMBL8740654

SCHEMBL8740654

CC=C(NC(C)=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
GLO1 Q04760 1/20 0.45
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL27735897 0.83 NPSR1 (0.41) MAPTGLO1ALDH1A1LMNANPSR1
SCHEMBL8583434 0.82 NPSR1 (0.55) MAPTGLO1ALDH1A1LMNAHSD17B10
SCHEMBL8583432 0.82 NPSR1 (0.55) MAPTGLO1ALDH1A1LMNAHSD17B10
SCHEMBL10153090 0.81 CYP2C9 (0.49) MAPTGLO1ALDH1A1LMNAHSD17B10
SCHEMBL10656434 0.78 NPSR1 (0.43) MAPTGLO1ALDH1A1LMNAHSD17B10
SCHEMBL6729528 0.78 NPSR1 (0.43) MAPTGLO1ALDH1A1LMNAHSD17B10
SCHEMBL4660722 0.78 ALDH1A1 (0.40) MAPTALDH1A1LMNAGAAHCAR2
SCHEMBL2334064 0.78 ALDH1A1 (0.40) MAPTALDH1A1LMNAGAAHCAR2
SCHEMBL2334069 0.78 ALDH1A1 (0.40) MAPTALDH1A1LMNAGAAHCAR2
SCHEMBL8081528 0.77 EGLN1 (0.44) MAPTGLO1ALDH1A1LMNAHSD17B10

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-0746410-A4 WATER-SOLUBLE CHIRAL SULFONATED BINAP CATALYST FOR ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS CALIFORNIA INST OF TECHN (US) 1997-04-09 EP disclosed
EP-0746410-A1 WATER-SOLUBLE CHIRAL SULFONATED BINAP CATALYST FOR ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1996-12-11 EP disclosed
WO-1995022405-A1 WATER-SOLUBLE CHIRAL SULFONATED BINAP CATALYST FOR ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1995-08-24 WO disclosed