SCHEMBL11706145

SCHEMBL11706145

C=C(C)C(=O)OC.CC=C(C)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 4/20 0.41
GLO1 Q04760 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 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
SCHEMBL39564 0.86 ALDH1A1 (0.68) ALDH1A1CYP2D6CYP2C19THRBTSHR
Methacrylic Acid SCHEMBL27319244 0.85 GLO1 (0.44) ALDH1A1CYP2D6CYP2C19THRBTSHR
SCHEMBL111294 0.84
SCHEMBL12789347 0.84
SCHEMBL111293 0.84
SCHEMBL27197266 0.83 TSHR (0.57) ALDH1A1THRBTSHRMAPTNPSR1
Hydrochloric Acid SCHEMBL28230911 0.82 ALDH1A1 (0.62) ALDH1A1CYP2D6CYP2C19THRBTSHR
Dimethylamine SCHEMBL27509730 0.82 GLO1 (0.48) ALDH1A1CYP2D6CYP2C19TSHRGLO1
Hydrochloric Acid SCHEMBL28340904 0.82 GLO1 (0.52) ALDH1A1CYP2D6CYP2C19TSHRGLO1
Ammonia Solution, Strong SCHEMBL16781360 0.82 GLO1 (0.52) ALDH1A1CYP2D6CYP2C19TSHRGLO1

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
US-4016112-A Process for production of foamed resin structure TEIJIN LIMITED (JA) 1977-04-05 US claimed