SCHEMBL10757690

SCHEMBL10757690

C=C(C(=O)OCCN)C(C)C.C=C(C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 4/20 0.44
ALDH1A1 P00352 5/20 0.35
CASP1 P29466 1/20 0.35
GLO1 Q04760 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 2/20 0.30

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
Ethyl Acetate SCHEMBL7212281 0.89 ALDH1A1 (0.45) THRBTSHRALDH1A1CASP1GLO1
SCHEMBL41031 0.87 TSHR (0.36) THRBTSHR
SCHEMBL3210119 0.86 ALDH1A1 (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7527694 0.85 TSHR (0.67) THRBTSHRALDH1A1POLBAPEX1
Acetic Acid SCHEMBL8433810 0.85 TSHR (0.37) THRBTSHR
Ammonia Solution, Strong SCHEMBL3663515 0.85 TSHR (0.35) THRBTSHR
Hydrochloric Acid SCHEMBL2533776 0.85 TSHR (0.35) THRBTSHRLMNA
Chloromethane SCHEMBL543091 0.83 TSHR (0.34) THRBTSHRCASP1
SCHEMBL6568101 0.83 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12746642 0.83 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1

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
EP-0232442-A1 Improved blood-purifying membrane and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-08-19 EP disclosed