SCHEMBL7185595

SCHEMBL7185595

Cc1cc(C)c(OC(C)C)c(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OCOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
MAOB P27338 7/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7185581 1.00 PPARA (0.39) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7186118 0.90 MAOB (0.47) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL7185605 0.90 LMNA (0.46) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7186124 0.90 MAOB (0.47) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL7185617 0.90 LMNA (0.46) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7184872 0.89 MAPT (0.38) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7183536 0.89 TNFRSF1A (0.39) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7189292 0.89 MAOB (0.38) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7184878 0.89 MAPT (0.38) PPARAMAOBKDM4EALDH1A1LMNA
SCHEMBL7183543 0.89 TNFRSF1A (0.39) PPARAMAOBKDM4EALDH1A1LMNA

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