SCHEMBL9746990

SCHEMBL9746990

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 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
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 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
SCHEMBL9747073 0.82 TSHR (0.47) ALDH1A1TSHRNPSR1LMNATHRB
SCHEMBL7696715 0.81 CASP1 (0.47) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL2022326 0.80 TSHR (0.34) CASP1TSHR
SCHEMBL10204719 0.79 CASP1 (0.50) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL6658380 0.79 CASP1 (0.46) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL9745494 0.79 ALDH1A1 (0.41) ALDH1A1EGLN1
SCHEMBL9744993 0.78 CASP1 (0.45) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL7662336 0.76
SCHEMBL9746137 0.76 ADRA1A (0.36) TSHR
SCHEMBL3896773 0.74 ALDH1A1 (0.48) CASP1ALDH1A1TSHRMAPTNPSR1

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