SCHEMBL8402003

SCHEMBL8402003

C=C(C)C(=O)OCCCO.OCCC(O)CO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 2/20 0.42
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL7796484 0.95 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL275389 0.88 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL891129 0.87 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139779 0.85 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139085 0.85 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139561 0.85 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18140763 0.85 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL36359 0.84 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15480 0.84 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1759348 0.83 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT

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
EP-0663619-B1 Process for the preparation of an image using only dry steps AGFA GEVAERT NV (BE) 1999-06-16 EP disclosed