SCHEMBL7187080

SCHEMBL7187080

Cc1cc(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c(OC(C)C)cc1OCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.42
DPP4 P27487 5/20 0.41
ABCG2 Q9UNQ0 2/20 0.40

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
SCHEMBL7187071 1.00 PTPN1 (0.42) PTPN1DPP4ABCG2
SCHEMBL7192450 0.97 PTPN1 (0.42) PTPN1DPP4ABCG2
SCHEMBL7192454 0.97 PTPN1 (0.42) PTPN1DPP4ABCG2
SCHEMBL7190800 0.90 PTPN1 (0.44) PTPN1DPP4ABCG2
SCHEMBL7190807 0.90 PTPN1 (0.44) PTPN1DPP4ABCG2
SCHEMBL7189142 0.90 PTPN1 (0.43) PTPN1DPP4ABCG2
SCHEMBL7190057 0.90 DPP4 (0.43) PTPN1DPP4ABCG2
SCHEMBL7189131 0.90 PTPN1 (0.43) PTPN1DPP4ABCG2
SCHEMBL7190065 0.90 DPP4 (0.43) PTPN1DPP4ABCG2
SCHEMBL7184141 0.89 ABCG2 (0.53) PTPN1DPP4ABCG2

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
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
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed