SCHEMBL28325652

SCHEMBL28325652

C=C(C)C(=O)OCCc1cccc(C(=O)O)c1C(=O)O.C=CC(=O)OCC(C)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FOLH1 Q04609 2/20 0.33
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 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
SCHEMBL36344 0.86 POLB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL27755224 0.83 TSHR (0.41) THRBTSHRPOLBAPEX1HTT
SCHEMBL29612237 0.82 THRB (0.50) THRBTSHRFOLH1PPARA
SCHEMBL57853 0.82 THRB (0.50) THRBTSHRFOLH1PPARA
SCHEMBL5442445 0.79 POLB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL5441216 0.78 POLB (0.49) TSHRPOLBAPEX1HTTTDP1
Itaconate SCHEMBL2638844 0.78 HTT (0.37) THRBTSHRPOLBAPEX1HTT
SCHEMBL6323141 0.77 FOLH1 (0.58) THRBPOLBAPEX1HTTTDP1
SCHEMBL6231696 0.76 POLB (0.34) THRBPOLBAPEX1HTTTDP1
SCHEMBL9109022 0.76 POLB (0.34) THRBPOLBAPEX1HTTTDP1

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
CN-110234226-A Antimicrobial non-thrombogenic polymer compositions 路博润先进材料公司 2019-09-13 CN disclosed