SCHEMBL7184796

SCHEMBL7184796

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
BCHE P06276 7/20 0.42
ACHE P22303 5/20 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
SCHEMBL7191519 0.96 PTPN1 (0.43) PTPN1ABCG2BCHEACHE
SCHEMBL7192576 0.90 ABCG2 (0.43) PTPN1ABCG2BCHEACHE
SCHEMBL7184518 0.90 PTPN1 (0.48) PTPN1ABCG2
SCHEMBL7184513 0.90 PTPN1 (0.48) PTPN1ABCG2
SCHEMBL7184997 0.89 PTPN1 (0.44) PTPN1ABCG2BCHEACHE
SCHEMBL7191607 0.88 PTPN1 (0.53) PTPN1ABCG2BCHEACHE
SCHEMBL7191014 0.88 ABCG2 (0.53) PTPN1ABCG2
SCHEMBL7186366 0.87 PTPN1 (0.43) PTPN1ABCG2BCHEACHE
SCHEMBL7192734 0.87 ABCG2 (0.46) PTPN1ABCG2BCHEACHE
SCHEMBL7186923 0.86 ABCG2 (0.43) ABCG2BCHEACHE

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