SCHEMBL7183322

SCHEMBL7183322

CCc1cc(CC)c(OC(C)C)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.42
PTPN1 P18031 2/20 0.39
BCHE P06276 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
MAOB P27338 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7183316 1.00 ELANE (0.42) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL9203637 0.95 ELANE (0.38) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL9203633 0.95 ELANE (0.38) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL7178711 0.93 PPARG (0.40) ELANEPTPN1BCHEABCG2
SCHEMBL7178715 0.93 PPARG (0.40) ELANEPTPN1BCHEABCG2
SCHEMBL7190380 0.91 PTPN1 (0.46) ELANEPTPN1
SCHEMBL7190378 0.91 PTPN1 (0.46) ELANEPTPN1
SCHEMBL7806429 0.90 ELANE (0.39) ELANEPTPN1BCHEABCG2
SCHEMBL7184443 0.90 ELANE (0.39) ELANEPTPN1BCHEABCG2
SCHEMBL7184599 0.88 MAPT (0.46) ELANEPTPN1BCHEABCG2MAOB

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