SCHEMBL7184997

SCHEMBL7184997

C=CCc1ccc(OCCCC)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
ELANE P08246 1/20 0.42
DPP4 P27487 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7191873 0.96 PTPN1 (0.44) PTPN1ABCG2ELANEDPP4
SCHEMBL7178649 0.91 PTPN1 (0.49) PTPN1ABCG2ELANE
SCHEMBL7178652 0.91 PTPN1 (0.49) PTPN1ABCG2ELANE
SCHEMBL7185698 0.90 PTPN1 (0.44) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7187794 0.90 ABCG2 (0.45) PTPN1ABCG2ELANEDPP4BCHE
SCHEMBL7184796 0.89 PTPN1 (0.43) PTPN1ABCG2BCHEACHE
SCHEMBL7191014 0.88 ABCG2 (0.53) PTPN1ABCG2DPP4
SCHEMBL7191607 0.87 PTPN1 (0.53) PTPN1ABCG2DPP4BCHEACHE
SCHEMBL7191340 0.87 ABCG2 (0.46) PTPN1ABCG2ELANEDPP4BCHE
SCHEMBL7191043 0.86 PTPN1 (0.44) PTPN1ABCG2DPP4

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