SCHEMBL7185014

SCHEMBL7185014

CCCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC(C)(C)C)cc1OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.50
DPP4 P27487 5/20 0.44
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL7185009 1.00 PTPN1 (0.50) PTPN1DPP4ABCG2
SCHEMBL7191431 0.89 PTPN1 (0.52) PTPN1DPP4ABCG2
SCHEMBL7191435 0.89 PTPN1 (0.52) PTPN1DPP4ABCG2
SCHEMBL7184979 0.89 PTPN1 (0.61) PTPN1DPP4ABCG2
SCHEMBL7184983 0.89 PTPN1 (0.61) PTPN1DPP4ABCG2
SCHEMBL9240019 0.89 PTPN1 (0.56) PTPN1DPP4ABCG2
SCHEMBL9240015 0.89 PTPN1 (0.56) PTPN1DPP4ABCG2
SCHEMBL7184081 0.88 DPP4 (0.46) PTPN1DPP4
SCHEMBL7184084 0.88 DPP4 (0.46) PTPN1DPP4
SCHEMBL7179981 0.88 DPP4 (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 4 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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed