SCHEMBL7186205

SCHEMBL7186205

CCOc1cc(OCOC(=O)C(C)(C)C)c(C(C)(C)CC)cc1/C=C/C(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.47
PTPN1 P18031 8/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7186212 1.00 DPP4 (0.47) DPP4PTPN1CYP1A1CYP1B1LMNA
SCHEMBL9273424 0.93 PTPN1 (0.43) DPP4PTPN1CYP1A1CYP1B1
SCHEMBL7180241 0.93 DPP4 (0.48) DPP4PTPN1CYP1A1CYP1B1
SCHEMBL7180233 0.93 DPP4 (0.48) DPP4PTPN1CYP1A1CYP1B1
SCHEMBL7190986 0.93 PTPN1 (0.52) DPP4PTPN1
SCHEMBL7190981 0.93 PTPN1 (0.52) DPP4PTPN1
SCHEMBL7192137 0.92 DPP4 (0.48) DPP4PTPN1CYP1A1CYP1B1LMNA
SCHEMBL7192131 0.92 DPP4 (0.48) DPP4PTPN1CYP1A1CYP1B1LMNA
SCHEMBL7191178 0.91 DPP4 (0.49) DPP4PTPN1CYP1A1CYP1B1LMNA
SCHEMBL7191175 0.91 DPP4 (0.49) DPP4PTPN1CYP1A1CYP1B1LMNA

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