SCHEMBL7186735

SCHEMBL7186735

COc1cc(OCOC(=O)C(C)(C)C)c(C(C)C)cc1/C=C/C(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
PTPN1 P18031 10/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
TNFRSF1A P19438 1/20 0.47

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
SCHEMBL7186742 1.00 DPP4 (0.52) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7191620 0.92 DPP4 (0.48) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7191614 0.92 DPP4 (0.48) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7190057 0.91 DPP4 (0.43) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7190065 0.91 DPP4 (0.43) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7181222 0.90 DPP4 (0.48) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7181213 0.90 DPP4 (0.48) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7184141 0.87 ABCG2 (0.53) DPP4ABCG2PTPN1TNFRSF1A
SCHEMBL7184148 0.87 ABCG2 (0.53) DPP4ABCG2PTPN1TNFRSF1A
SCHEMBL7191847 0.86 PTPN1 (0.56) DPP4ABCG2PTPN1

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 5 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
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