SCHEMBL7192590

SCHEMBL7192590

CCCOc1c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(CCC)c(OC(=O)C(C)(C)C)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
PTPN1 P18031 9/20 0.40
ELANE P08246 1/20 0.38

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
SCHEMBL7192583 1.00 DPP4 (0.43) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7187924 0.93 PTPN1 (0.43) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7187929 0.93 PTPN1 (0.43) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7186225 0.90 ABCG2 (0.45) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7185444 0.90 PTPN1 (0.45) DPP4ABCG2PTPN1
SCHEMBL7185442 0.90 PTPN1 (0.45) DPP4ABCG2PTPN1
SCHEMBL7186219 0.90 ABCG2 (0.45) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL9206887 0.90 DPP4 (0.37) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL9206885 0.90 DPP4 (0.37) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL9199322 0.90 PTPN1 (0.41) DPP4ABCG2CYP1A1CYP1B1PTPN1

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