SCHEMBL7183543

SCHEMBL7183543

CC(C)Oc1c(C(C)(C)C)cc(C(C)(C)C)c(OCOC(=O)C(C)(C)C)c1C=CC(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.39
PPARA Q07869 1/20 0.37
MAOB P27338 7/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ABCG2 Q9UNQ0 2/20 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
SCHEMBL7183536 1.00 TNFRSF1A (0.39) TNFRSF1APPARAMAOBCYP1A1CYP1B1
SCHEMBL7179062 0.92 MAOB (0.37) PPARAMAOBCYP1A1CYP1B1KDM4E
SCHEMBL7179059 0.92 MAOB (0.37) PPARAMAOBCYP1A1CYP1B1KDM4E
SCHEMBL7184543 0.89 TNFRSF1A (0.48) TNFRSF1APPARAMAOBKDM4EALDH1A1
SCHEMBL7185581 0.89 PPARA (0.39) PPARAMAOBCYP1A1CYP1B1KDM4E
SCHEMBL7184535 0.89 TNFRSF1A (0.48) TNFRSF1APPARAMAOBKDM4EALDH1A1
SCHEMBL7189028 0.89 MAOB (0.45) TNFRSF1AMAOBCYP1A1CYP1B1KDM4E
SCHEMBL7189038 0.89 MAOB (0.45) TNFRSF1AMAOBCYP1A1CYP1B1KDM4E
SCHEMBL7185595 0.89 PPARA (0.39) PPARAMAOBCYP1A1CYP1B1KDM4E
SCHEMBL7186280 0.88 PPARA (0.37) TNFRSF1APPARAMAOBCYP1A1CYP1B1

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