SCHEMBL7184805

SCHEMBL7184805

CCC(C)(C)c1cc(C(C)(C)CC)c(OCOC(=O)C(C)(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 2/20 0.41
DPP4 P27487 5/20 0.39
TNFRSF1A P19438 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KRAS P01116 1/20 0.39
PTPN1 P18031 4/20 0.38
PPARA Q07869 1/20 0.37
MAOA P21397 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL7184816 1.00 LMNA (0.44) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7181427 0.93 MAOB (0.43) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7181437 0.93 MAOB (0.43) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7184895 0.91 ABCG2 (0.43) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7184887 0.91 ABCG2 (0.43) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7184543 0.91 TNFRSF1A (0.48) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7184535 0.91 TNFRSF1A (0.48) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7179059 0.90 MAOB (0.37) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7179062 0.90 MAOB (0.37) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9271555 0.89 ABCG2 (0.41) LMNAMAPTKDM4EALDH1A1SMN1; 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