SCHEMBL7182353

SCHEMBL7182353

CC(C)(C)Oc1ccc(C(C)(C)C)c(OC(C)(C)C)c1/C=C/C(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
MAOB P27338 7/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 3/20 0.36
MAOA P21397 1/20 0.36
TNFRSF1A P19438 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PPARG P37231 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
SCHEMBL7182356 1.00 PPARA (0.39) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7180765 0.89 PPARA (0.39) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7180770 0.89 PPARA (0.39) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7186623 0.88 KDM4E (0.46) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7186626 0.88 KDM4E (0.46) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7180721 0.87 MAOB (0.43) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7180730 0.87 MAOB (0.43) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7186340 0.87 PTPN1 (0.44) PPARA
SCHEMBL7186342 0.87 PTPN1 (0.44) PPARA
SCHEMBL7187938 0.86 ELANE (0.44) TNFRSF1AABCG2

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