SCHEMBL7185966

SCHEMBL7185966

C=CC(C)(C)c1cc(C=CC(=O)c2ccc(OCOC)cc2)c(OC)cc1O

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.81
DPP4 P27487 6/20 0.76
IDH1 O75874 1/20 0.76
ABCB1 P08183 1/20 0.76
UGT1A1 P22309 1/20 0.76
ABCC1 P33527 1/20 0.76
PRMT6 Q96LA8 1/20 0.76
ABCG2 Q9UNQ0 1/20 0.76

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
SCHEMBL7185962 1.00 PTPN1 (0.81) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7192150 0.88 PTPN1 (0.82) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7192145 0.88 PTPN1 (0.82) PTPN1DPP4IDH1ABCB1UGT1A1
Licoagrochacone A SCHEMBL30383634 0.87 PTPN1 (1.00) PTPN1DPP4IDH1ABCB1UGT1A1
Licoagrochacone A SCHEMBL29929441 0.87 PTPN1 (1.00) PTPN1DPP4IDH1ABCB1UGT1A1
Licoagrochacone A SCHEMBL4906294 0.87 PTPN1 (1.00) PTPN1DPP4IDH1ABCB1UGT1A1
Licoagrochacone A SCHEMBL114042 0.87 PTPN1 (1.00) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL24026322 0.86 PTPN1 (0.85) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7188892 0.84 PTPN1 (0.70) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7188900 0.84 PTPN1 (0.70) PTPN1DPP4IDH1ABCB1UGT1A1

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 8 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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO 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