SCHEMBL7189287

SCHEMBL7189287

CCc1cc(CC)c(OC(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OCOC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARA Q07869 1/20 0.37
MAOA P21397 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7189292 1.00 MAOB (0.38) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7185829 0.94 KDM4E (0.36) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7185823 0.94 KDM4E (0.36) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7180260 0.92 PTPN1 (0.43) PPARA
SCHEMBL7180268 0.92 PTPN1 (0.43) PPARA
SCHEMBL7191099 0.91 PPARA (0.35) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7191104 0.91 PPARA (0.35) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7192175 0.90 MAOB (0.46) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7192183 0.90 MAOB (0.46) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7185595 0.89 PPARA (0.39) MAOBKDM4ELMNAMAPTALDH1A1

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