SCHEMBL7184543

SCHEMBL7184543

COc1c(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 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.48
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
ABCG2 Q9UNQ0 1/20 0.41
MAOB P27338 1/20 0.41
KRAS P01116 1/20 0.41
PPARA Q07869 1/20 0.39
DPP4 P27487 5/20 0.39
MAPK1 P28482 1/20 0.39
PTPN1 P18031 2/20 0.38
F3 P13726 1/20 0.38
EGFR P00533 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAOA P21397 2/20 0.38

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
SCHEMBL7184535 1.00 TNFRSF1A (0.48) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7189038 0.92 MAOB (0.45) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7189028 0.92 MAOB (0.45) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7184805 0.91 LMNA (0.44) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7184816 0.91 LMNA (0.44) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7191984 0.90 ABCG2 (0.45) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7191980 0.90 ABCG2 (0.45) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7183543 0.89 TNFRSF1A (0.39) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7183536 0.89 TNFRSF1A (0.39) TNFRSF1ALMNAMAPTKDM4EALDH1A1
SCHEMBL7185617 0.88 LMNA (0.46) TNFRSF1ALMNAMAPTKDM4EALDH1A1

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