SCHEMBL7185617

SCHEMBL7185617

COc1c(C)cc(C)c(OCOC(=O)C(C)(C)C)c1C=CC(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.43
MAOB P27338 2/20 0.42
KRAS P01116 1/20 0.42
PTPN1 P18031 1/20 0.41
PPARA Q07869 1/20 0.40
DPP4 P27487 2/20 0.40
TNFRSF1A P19438 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7185605 1.00 LMNA (0.46) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7186118 0.92 MAOB (0.47) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7186124 0.92 MAOB (0.47) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7185595 0.90 PPARA (0.39) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7183788 0.90 ABCG2 (0.47) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7185581 0.90 PPARA (0.39) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7183802 0.90 ABCG2 (0.47) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7184419 0.88 LMNA (0.47) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7186107 0.88 KDM4E (0.47) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7186101 0.88 KDM4E (0.47) 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 5 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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed