SCHEMBL9397635

SCHEMBL9397635

C/C=C/C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.37
HCAR2 Q8TDS4 3/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL9397645 1.00 GSTP1 (0.37) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL30849893 0.82 MAPK1 (0.43) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL7550109 0.82 ALDH1A1 (0.34) POLBMAPK1ALDH1A1TP53CYP3A4
SCHEMBL9004563 0.80 GSTP1 (0.38) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL21636809 0.80 GSTP1 (0.38) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL10943665 0.80 GSTP1 (0.38) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL29162998 0.78 GSTP1 (0.37) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL21112017 0.78 HTT (0.45) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL6249926 0.78 GSTP1 (0.37) GSTP1HCAR2ATMLMNAPOLB
SCHEMBL9329189 0.77 ALDH1A1 (0.53) GSTP1HCAR2ATMLMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324786-A Process for preparation of a solid phase system ORPEGEN MEDIZINISCHE-MOLEKULAR BIOLOGISCHE FORSCHUNGSGESELLSCHAFT MBH (DE) 1994-06-28 US disclosed
US-5214195-A ALLYL ESTERS AND THE USE THEREOF FOR THE BUILD-UP OF SOLID PHASE SYSTEMS FOR SOLID PHASE REACTIONS ORPEGEN MEDIZINISCH-MOLEKULAR BIOLOGISCHE FORSCHUNGSGESELLSCHAFT MBH (DE) 1993-05-25 US disclosed
EP-0415331-A2 Allyl esters and their application to the construction of solid phase systems for solid phase reactions Orpegen Medizinisch-Molekularbiologische Forschungsgesellschaft m.b.H. (DE) 1991-03-06 EP disclosed