SCHEMBL7183936

SCHEMBL7183936

CCCCOc1cc(OCCCC)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.49
PTPN1 P18031 2/20 0.49
ABCG2 Q9UNQ0 3/20 0.45
BCHE P06276 4/20 0.43
ACHE P22303 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7192579 0.94 DPP4 (0.47) DPP4PTPN1ABCG2KEAP1NFE2L2
SCHEMBL7184552 0.90 LMNA (0.50) DPP4PTPN1ABCG2KEAP1NFE2L2
SCHEMBL7184550 0.90 LMNA (0.50) DPP4PTPN1ABCG2KEAP1NFE2L2
SCHEMBL9200658 0.88 DPP4 (0.50) DPP4PTPN1ABCG2BCHEACHE
SCHEMBL7180067 0.87 ABCG2 (0.59) DPP4PTPN1ABCG2
SCHEMBL7186182 0.87 PTPN1 (0.48) DPP4PTPN1ABCG2BCHEACHE
SCHEMBL9112573 0.86 DPP4 (0.59) DPP4PTPN1ABCG2BCHEACHE
SCHEMBL7176964 0.86 DPP4 (0.51) DPP4PTPN1ABCG2BCHECYP1A1
SCHEMBL9114453 0.86 DPP4 (0.59) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL9113077 0.86 DPP4 (0.56) DPP4PTPN1ABCG2LMNAMAPT

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