SCHEMBL7186202

SCHEMBL7186202

CCCc1cc(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c(OC)cc1OCOC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.53
DPP4 P27487 5/20 0.52
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL7186199 1.00 PTPN1 (0.53) PTPN1DPP4ABCG2
SCHEMBL7187890 0.97 PTPN1 (0.54) PTPN1DPP4ABCG2
SCHEMBL7187896 0.97 PTPN1 (0.54) PTPN1DPP4ABCG2
SCHEMBL7191847 0.93 PTPN1 (0.56) PTPN1DPP4ABCG2
SCHEMBL7191854 0.93 PTPN1 (0.56) PTPN1DPP4ABCG2
SCHEMBL7186229 0.93 PTPN1 (0.48) PTPN1DPP4
SCHEMBL7186235 0.93 PTPN1 (0.48) PTPN1DPP4
SCHEMBL7187647 0.92 DPP4 (0.49) PTPN1DPP4ABCG2
SCHEMBL7187638 0.92 DPP4 (0.49) PTPN1DPP4ABCG2
SCHEMBL7192489 0.91 PTPN1 (0.49) 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 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