SCHEMBL7184872

SCHEMBL7184872

CC(C)Oc1c(C(C)C)cc(C(C)C)c(OCOC(=O)C(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 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARA Q07869 1/20 0.37
MAOB P27338 9/20 0.37
MAOA P21397 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
DPP4 P27487 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL7184878 1.00 MAPT (0.38) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7186710 0.92 MAOB (0.44) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7186717 0.92 MAOB (0.44) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7191033 0.91 LMNA (0.45) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7191042 0.91 LMNA (0.45) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7178923 0.90 ABCG2 (0.43) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7178929 0.90 ABCG2 (0.43) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7185581 0.89 PPARA (0.39) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7185595 0.89 PPARA (0.39) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9203735 0.87 MAOB (0.40) MAPTKDM4ELMNAALDH1A1SMN1; 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