SCHEMBL9680008

SCHEMBL9680008

C/C=C/C=C/[C@@H](O)C[C@@H](O)CCO

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ACHE P22303 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL9419918 1.00 THRB (0.36) THRBACHEBACE1
SCHEMBL9680017 1.00 THRB (0.36) THRBACHEBACE1
SCHEMBL9419916 1.00 THRB (0.36) THRBACHEBACE1
SCHEMBL5868361 0.83 ACHE (0.37) ACHEBACE1
SCHEMBL5868366 0.83 ACHE (0.37) ACHEBACE1
SCHEMBL1988539 0.75 ACHE (0.43) ACHEBACE1
SCHEMBL11824536 0.72 TRPA1 (0.44) ACHEBACE1
SCHEMBL9679401 0.71 THRB (0.39) THRB
SCHEMBL9419928 0.71 THRB (0.39) THRB
SCHEMBL9419913 0.71 THRB (0.39) THRB

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-0469480-A2 Process for stereoselective preparation of 5-substituted delta-lactones and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-05 EP disclosed