SCHEMBL7183889

SCHEMBL7183889

CCOc1cc(OC(=O)C(C)(C)C)c(CC)cc1C=CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.52
DPP4 P27487 2/20 0.50
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
MAOB P27338 2/20 0.46

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
SCHEMBL7183885 1.00 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL9197910 0.95 PTPN1 (0.48) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL9197907 0.95 PTPN1 (0.48) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7185790 0.94 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7185789 0.94 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7191271 0.92 PTPN1 (0.61) PTPN1
SCHEMBL7191266 0.92 PTPN1 (0.61) PTPN1
SCHEMBL7179917 0.92 DPP4 (0.52) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7179914 0.92 DPP4 (0.52) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7180234 0.91 PTPN1 (0.60) PTPN1DPP4ABCG2

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 3 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