SCHEMBL7184401

SCHEMBL7184401

C=CCc1cc(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c(OC)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.67
ABCG2 Q9UNQ0 1/20 0.57

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
SCHEMBL7184396 1.00 PTPN1 (0.67) PTPN1ABCG2
SCHEMBL9113009 0.87 PTPN1 (0.83) PTPN1ABCG2
SCHEMBL7177786 0.87 PTPN1 (0.85) PTPN1
SCHEMBL7177792 0.87 PTPN1 (0.85) PTPN1
SCHEMBL9113002 0.87 PTPN1 (0.83) PTPN1ABCG2
SCHEMBL7189620 0.87 PTPN1 (0.58) PTPN1
SCHEMBL7189624 0.87 PTPN1 (0.58) PTPN1
SCHEMBL7186631 0.87 PTPN1 (0.59) PTPN1ABCG2
SCHEMBL7184463 0.86 PTPN1 (0.69) PTPN1ABCG2
SCHEMBL7184458 0.86 PTPN1 (0.69) 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 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