Sugi Predict

Sugi Predict / Compounds / SCHEMBL5057288

SCHEMBL5057288

SCHEMBL5057288

C=C(C)C(=O)OCCCCC(C)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ THRB P10828 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL2174517 0.88 TSHR (0.48) TSHRTHRBPOLBAPEX1HTT
SCHEMBL382201 0.81 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29089145 0.80 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28570176 0.80 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19991477 0.80 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL36424 0.80 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL216465 0.80 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20503431 0.80 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2458485 0.80 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31589289 0.80 TSHR (0.65) 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
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 — — US disclosed