SCHEMBL7192145

SCHEMBL7192145

C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(OCOC)cc2)c(OC)cc1OC(C)=O

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.82
ABCG2 Q9UNQ0 3/20 0.58
DPP4 P27487 3/20 0.58
IDH1 O75874 1/20 0.58
ABCB1 P08183 1/20 0.58
UGT1A1 P22309 1/20 0.58
ABCC1 P33527 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48

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
SCHEMBL7192150 1.00 PTPN1 (0.82) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7185962 0.88 PTPN1 (0.81) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7185966 0.88 PTPN1 (0.81) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7188900 0.83 PTPN1 (0.70) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7188892 0.83 PTPN1 (0.70) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7179780 0.83 PTPN1 (1.00) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7179782 0.83 PTPN1 (1.00) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7184110 0.82 PTPN1 (0.79) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7184107 0.82 PTPN1 (0.79) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7184729 0.82 PTPN1 (0.59) PTPN1ABCG2DPP4IDH1ABCB1

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 7 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 claimed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
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