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Sugi Predict / Compounds / SCHEMBL4929316

SCHEMBL4929316

SCHEMBL4929316

C=C(C)C(=O)OCCC(C)(C)COS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8966019 0.83 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8965485 0.81 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL30876969 0.80 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL154342 0.78 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4639600 0.76 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Ammonia Solution, Strong SCHEMBL720362 0.76 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23494244 0.75 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5969201 0.75 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5969177 0.75 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3799575 0.75 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1

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-20080220128-A1 Food Casing Based on Cellulose Hydrate with a Coating Containing Collagen Fibrils and Gelatin ARCHIMICA GMBH (DE) 2008-09-11 — — US disclosed