SCHEMBL9746312

SCHEMBL9746312

C=C(C(=O)OCC)C(Br)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 1/20 0.41
TRPA1 O75762 1/20 0.40
THRB P10828 1/20 0.37
MAPT P10636 4/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL9746123 0.82 TSHR (0.47) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL9744986 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCASP1TRPA1THRB
SCHEMBL9745271 0.79 ALDH1A1 (0.41) ALDH1A1TSHREGLN1
SCHEMBL6656554 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCASP1TRPA1THRB
SCHEMBL8616785 0.76
SCHEMBL123249 0.76
SCHEMBL9746715 0.76 TSHR (0.38) ALDH1A1TSHR
SCHEMBL3896773 0.74 ALDH1A1 (0.48) ALDH1A1TSHRCASP1TRPA1THRB
SCHEMBL2799606 0.72 CASP1 (0.47) ALDH1A1TSHRCASP1TRPA1THRB
SCHEMBL7696715 0.72 CASP1 (0.47) ALDH1A1TSHRCASP1TRPA1THRB

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed