SCHEMBL7185666

SCHEMBL7185666

CCCc1cc(/C=C/C(=O)c2ccc(NC)cc2)c(OC)cc1O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.59
DPP4 P27487 7/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
SNCA P37840 1/20 0.52

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
SCHEMBL7185669 1.00 PTPN1 (0.59) PTPN1DPP4ABCG2SNCA
SCHEMBL9208666 0.92 PTPN1 (0.52) PTPN1DPP4
SCHEMBL9208668 0.92 PTPN1 (0.52) PTPN1DPP4
SCHEMBL7184847 0.92 PTPN1 (0.62) PTPN1DPP4ABCG2SNCA
SCHEMBL7184842 0.92 PTPN1 (0.62) PTPN1DPP4ABCG2SNCA
SCHEMBL7185865 0.91 ABCG2 (0.59) PTPN1DPP4ABCG2SNCA
SCHEMBL7185860 0.91 ABCG2 (0.59) PTPN1DPP4ABCG2SNCA
SCHEMBL7186619 0.90 PTPN1 (0.53) PTPN1DPP4
SCHEMBL7186617 0.90 PTPN1 (0.53) PTPN1DPP4
SCHEMBL7187745 0.89 DPP4 (0.52) PTPN1DPP4

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