SCHEMBL7182866

SCHEMBL7182866

CCOc1cc(O)c(C)cc1/C=C/C(=O)c1ccc(NC)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.52
PTPN1 P18031 7/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL7182869 1.00 DPP4 (0.52) DPP4PTPN1LMNAMAPTATM
SCHEMBL7192343 0.91 DPP4 (0.53) DPP4PTPN1ABCG2
SCHEMBL7192340 0.91 DPP4 (0.53) DPP4PTPN1ABCG2
SCHEMBL7180062 0.91 MAPT (0.49) DPP4PTPN1LMNAMAPTATM
SCHEMBL7180066 0.91 MAPT (0.49) DPP4PTPN1LMNAMAPTATM
SCHEMBL7186603 0.89 PTPN1 (0.56) DPP4PTPN1LMNAMAPTATM
SCHEMBL7186600 0.89 PTPN1 (0.56) DPP4PTPN1LMNAMAPTATM
SCHEMBL7185017 0.88 DPP4 (0.56) DPP4PTPN1LMNAMAPTATM
SCHEMBL7185020 0.88 DPP4 (0.56) DPP4PTPN1LMNAMAPTATM
SCHEMBL7180037 0.87 DPP4 (0.61) DPP4PTPN1ABCG2

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