SCHEMBL7189192

SCHEMBL7189192

Cc1cc(C)c(OC(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.45
ABCG2 Q9UNQ0 1/20 0.40
PTPN1 P18031 2/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
BCHE P06276 1/20 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
SCHEMBL7189198 1.00 ELANE (0.45) ELANEABCG2PTPN1PPARGPPARD
SCHEMBL9203633 0.92 ELANE (0.38) ELANEABCG2PTPN1BCHE
SCHEMBL9203637 0.92 ELANE (0.38) ELANEABCG2PTPN1BCHE
SCHEMBL7182621 0.88 ABCG2 (0.47) ELANEABCG2PTPN1
SCHEMBL7182625 0.88 ABCG2 (0.47) ELANEABCG2PTPN1
SCHEMBL7191082 0.87 ELANE (0.41) ELANEABCG2PTPN1
SCHEMBL7191079 0.87 ELANE (0.41) ELANEABCG2PTPN1
SCHEMBL7185010 0.87 ELANE (0.43) ELANEABCG2PTPN1BCHE
SCHEMBL7185322 0.87 ELANE (0.43) ELANEABCG2PTPN1BCHE
SCHEMBL7177337 0.87 TNFRSF1A (0.43) 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 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