SCHEMBL7183673

SCHEMBL7183673

CCc1cc(C=CC(=O)c2ccc(OCOC)cc2)c(OC)cc1OCOC

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.59
PTPN1 P18031 10/20 0.59
DPP4 P27487 5/20 0.57
TNFRSF1A P19438 1/20 0.54

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
SCHEMBL7183664 1.00 ABCG2 (0.59) ABCG2PTPN1DPP4TNFRSF1A
SCHEMBL7184612 0.92 PTPN1 (0.56) ABCG2PTPN1DPP4TNFRSF1A
SCHEMBL7184627 0.92 PTPN1 (0.56) ABCG2PTPN1DPP4TNFRSF1A
SCHEMBL7188190 0.89 PTPN1 (0.68) PTPN1
SCHEMBL7188203 0.89 PTPN1 (0.68) PTPN1
SCHEMBL7191847 0.87 PTPN1 (0.56) ABCG2PTPN1DPP4
SCHEMBL7191854 0.87 PTPN1 (0.56) ABCG2PTPN1DPP4
SCHEMBL7189503 0.87 ABCG2 (0.60) ABCG2PTPN1DPP4TNFRSF1A
SCHEMBL7189495 0.87 ABCG2 (0.60) ABCG2PTPN1DPP4TNFRSF1A
SCHEMBL7184729 0.84 PTPN1 (0.59) ABCG2PTPN1DPP4TNFRSF1A

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