SCHEMBL7182390

SCHEMBL7182390

CCCOc1c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(CC)c(OC(=O)C(C)(C)C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
CYP1A1 P04798 3/20 0.48
CYP1B1 Q16678 3/20 0.48
PTPN1 P18031 10/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7187652 0.94 DPP4 (0.47) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7177208 0.93 PTPN1 (0.53) DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7179053 0.92 PTPN1 (0.48) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7191858 0.92 PTPN1 (0.48) CYP1A1CYP1B1PTPN1ABCG2KDM4E
SCHEMBL7184078 0.92 DPP4 (0.45) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7185876 0.90 DPP4 (0.48) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7186088 0.90 DPP4 (0.48) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7186225 0.89 ABCG2 (0.45) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7186219 0.89 ABCG2 (0.45) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9273741 0.89 DPP4 (0.43) DPP4CYP1A1CYP1B1PTPN1ABCG2

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 5 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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed