SCHEMBL7183713

SCHEMBL7183713

CCC(C)(C)c1cc(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c(OC(C)C)c(C(C)(C)CC)c1OCOC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.36
PTPN1 P18031 7/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL7183718 1.00 DPP4 (0.36) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7185843 0.90 DPP4 (0.41) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7178815 0.90 KDM4E (0.42) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7178822 0.90 KDM4E (0.42) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7185836 0.90 DPP4 (0.41) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7183981 0.89 DPP4 (0.43) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7183972 0.89 DPP4 (0.43) DPP4PTPN1KDM4EALDH1A1LMNA
SCHEMBL7191122 0.89 TNFRSF1A (0.39) DPP4PTPN1PPARAMAOAMAOB
SCHEMBL7191132 0.89 TNFRSF1A (0.39) DPP4PTPN1PPARAMAOAMAOB
SCHEMBL7179062 0.87 MAOB (0.37) KDM4EALDH1A1LMNAMAPTSMN1; SMN2

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