SCHEMBL4172029

SCHEMBL4172029

C=CCc1c(Cl)nc(C(C)(C)C)nc1N(C(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RXRA P19793 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
SCHEMBL4162417 0.87
SCHEMBL4491809 0.81 EGFR (0.32) RXRA
SCHEMBL4172027 0.74 AAK1 (0.33)
SCHEMBL3271973 0.70 ALDH1A1 (0.34) RXRA
SCHEMBL3929768 0.70 RXRA (0.30) RXRA
SCHEMBL4502806 0.67 MAP2K1 (0.33)
SCHEMBL3929762 0.66 GPR119 (0.34) RXRA
SCHEMBL3930866 0.65
SCHEMBL57513 0.62 DGAT1 (0.41)
SCHEMBL3271971 0.61 RXRA (0.33) RXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed