SCHEMBL1756100

SCHEMBL1756100

C=C(C)C(=O)OCCCCNC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.46
ACHE P22303 12/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL85836 0.87 THRB (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16309328 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16385235 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2720550 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16384917 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17225745 0.85 TSHR (0.57) TSHRTHRBACHE
SCHEMBL4980959 0.84 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29100295 0.84 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29100282 0.84 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27776277 0.84 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1

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-1983017-B1 CURABLE COMPOSITION CONTAINING THIOL COMPOUND SHOWA DENKO KK (JP) 2012-04-18 EP disclosed