SCHEMBL28043832

SCHEMBL28043832

CCOC(=O)CC(C)=CBr

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 1/20 0.48
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 2/20 0.36
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10701822 0.82 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10701892 0.82 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13306387 0.82 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18970203 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23255850 0.77 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28405928 0.77 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21518777 0.77 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7564545 0.77 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL27943809 0.76 GAA (0.88) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.75 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1

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
CN-105102417-A Method for producing 4-halosenecioic acid derivative SAGAMI CHEMICAL RES INST 2015-11-25 CN disclosed