SCHEMBL7184337

SCHEMBL7184337

COc1c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)cc(C(C)(C)C)c(OCOC(=O)C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.48
PTPN1 P18031 6/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 5/20 0.41
MAOB P27338 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
PPARA Q07869 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL7184342 1.00 TNFRSF1A (0.48) TNFRSF1APTPN1KDM4EALDH1A1LMNA
SCHEMBL7186805 0.91 MAOB (0.44) TNFRSF1AKDM4EALDH1A1LMNAMAPT
SCHEMBL7186810 0.91 MAOB (0.44) TNFRSF1AKDM4EALDH1A1LMNAMAPT
SCHEMBL7191122 0.90 TNFRSF1A (0.39) TNFRSF1APTPN1DPP4MAOBABCG2
SCHEMBL7178855 0.90 ABCG2 (0.44) TNFRSF1APTPN1DPP4MAOBABCG2
SCHEMBL7178851 0.90 ABCG2 (0.44) TNFRSF1APTPN1DPP4MAOBABCG2
SCHEMBL7191132 0.90 TNFRSF1A (0.39) TNFRSF1APTPN1DPP4MAOBABCG2
SCHEMBL7178815 0.88 KDM4E (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7178822 0.88 KDM4E (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7184543 0.85 TNFRSF1A (0.48) TNFRSF1APTPN1KDM4EALDH1A1LMNA

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