SCHEMBL9746469

SCHEMBL9746469

C=C(C(=O)OCC)C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.44
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9546128 0.83 ALDH1A1 (0.44) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL27927950 0.81 ALDH1A1 (0.42) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL9747383 0.81 ALDH1A1 (0.42) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL10998332 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL9747388 0.79 TSHR (0.52) ALDH1A1TSHRNPSR1LMNATHRB
SCHEMBL3896773 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL14010565 0.78 ALDH1A1 (0.44) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL2799606 0.77 CASP1 (0.47) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL7696715 0.77 CASP1 (0.47) ALDH1A1TSHRCASP1MAPTNPSR1
SCHEMBL14696826 0.77 ALDH1A1 (0.47) ALDH1A1TSHRCASP1MAPTNPSR1

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