SCHEMBL9681252

SCHEMBL9681252

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.31
LTA4H P09960 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
SCHEMBL9681258 1.00 THRB (0.33) THRBTRPV1TRPA1LTA4H
SCHEMBL29809860 1.00 THRB (0.33) THRBTRPV1TRPA1LTA4H
SCHEMBL9419874 1.00 THRB (0.33) THRBTRPV1TRPA1LTA4H
SCHEMBL9419872 1.00 THRB (0.33) THRBTRPV1TRPA1LTA4H
SCHEMBL16431880 0.84 GABRR1 (0.31) TRPV1TRPA1LTA4H
SCHEMBL16431878 0.84 GABRR1 (0.31) TRPV1TRPA1LTA4H
SCHEMBL5868604 0.76 THRB (0.42) THRB
SCHEMBL5868601 0.76 THRB (0.42) THRB
SCHEMBL17063554 0.74 THRB (0.40) THRBTRPV1TRPA1LTA4H
SCHEMBL9679401 0.72 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