SCHEMBL7185007

SCHEMBL7185007

Cc1ccc(OC(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.43
ABCG2 Q9UNQ0 3/20 0.38
PTPN1 P18031 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL7185010 1.00 ELANE (0.43) ELANEABCG2PTPN1PDE4APDE4B
SCHEMBL7184634 0.89 ELANE (0.41) ELANEABCG2PTPN1PDE4APDE4B
SCHEMBL7184638 0.89 ELANE (0.41) ELANEABCG2PTPN1PDE4APDE4B
SCHEMBL7185125 0.87 PPARA (0.38) ABCG2PTPN1PDE4APDE4BPDE4C
SCHEMBL7185131 0.87 PPARA (0.38) ABCG2PTPN1PDE4APDE4BPDE4C
SCHEMBL7189198 0.87 ELANE (0.45) ELANEABCG2PTPN1BCHE
SCHEMBL7189192 0.87 ELANE (0.45) ELANEABCG2PTPN1BCHE
SCHEMBL7185651 0.86 ABCG2 (0.52) ELANEABCG2PTPN1
SCHEMBL7185654 0.86 ABCG2 (0.52) ELANEABCG2PTPN1
SCHEMBL7178970 0.86 ELANE (0.38) ELANEABCG2PTPN1BCHE

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