SCHEMBL24701459

SCHEMBL24701459

C/C=C\C=C(/C)COC1=CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.41

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
SCHEMBL11102484 0.76 GSTP1 (0.37) GSTP1
SCHEMBL3603099 0.70 GSTP1 (0.38) GSTP1
SCHEMBL11104225 0.66 PTPRC (0.38) GSTP1
SCHEMBL11336110 0.66 GSTP1 (0.36) GSTP1
SCHEMBL16714050 0.65 GSTP1 (0.41) GSTP1
SCHEMBL1804084 0.64
SCHEMBL616033 0.61 GSTP1 (0.42) GSTP1
SCHEMBL26987773 0.61 TP53 (0.39) GSTP1
SCHEMBL5664113 0.61 CYP3A4 (0.56)
SCHEMBL11052840 0.60

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-3596074-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-12-14 EP disclosed