SCHEMBL7185698

SCHEMBL7185698

C=CCc1ccc(OCCCC)c(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.44
ABCG2 Q9UNQ0 1/20 0.41
DPP4 P27487 1/20 0.39
BCHE P06276 4/20 0.39
ACHE P22303 2/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL7191043 0.96 PTPN1 (0.44) PTPN1ABCG2DPP4PPARA
SCHEMBL7184487 0.91 PTPN1 (0.49) PTPN1ABCG2
SCHEMBL7184493 0.91 PTPN1 (0.49) PTPN1ABCG2
SCHEMBL7192556 0.90 ABCG2 (0.43) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7184997 0.90 PTPN1 (0.44) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7186047 0.87 ABCG2 (0.43) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7182666 0.87 ABCG2 (0.45) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7181670 0.86 ABCG2 (0.43) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7186340 0.86 PTPN1 (0.44) PTPN1PPARA
SCHEMBL7180091 0.86 PTPN1 (0.50) PTPN1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed