SCHEMBL28105201

SCHEMBL28105201

C=C(C(=O)Cl)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
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
CASP1 P29466 1/20 0.38
THRB P10828 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TRPA1 O75762 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL10970767 0.86 ALDH1A1 (0.48) ALDH1A1MAPTTSHRLMNAHSD17B10
SCHEMBL13269637 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTSHRLMNAHSD17B10
SCHEMBL79588 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTSHRLMNAHSD17B10
SCHEMBL28293945 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTSHRLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28294025 0.82 ALDH1A1 (0.54) ALDH1A1MAPTTSHRLMNAHSD17B10
SCHEMBL28099320 0.82 ALDH1A1 (0.54) ALDH1A1MAPTTSHRLMNAHSD17B10
SCHEMBL395607 0.80
SCHEMBL23824 0.79
Potassium SCHEMBL29839788 0.78
Acetic Acid SCHEMBL28826956 0.78 ALDH1A1 (0.55) ALDH1A1MAPTTSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106030309-A Universal antigen retrieval compounds and methods of use thereof 休斯敦大学系统 2016-10-12 CN claimed
CN-106030309-A Universal antigen retrieval compounds and methods of use thereof 休斯敦大学系统 2016-10-12 CN disclosed