SCHEMBL7185322

SCHEMBL7185322

CC(C)Oc1c(C(C)C)cc(C(C)C)c(OC(=O)C(C)(C)C)c1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.43
ABCG2 Q9UNQ0 1/20 0.38
ESR1 P03372 1/20 0.38
PTPN1 P18031 2/20 0.38
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL7185325 1.00 ELANE (0.43) ELANEABCG2ESR1PTPN1BCHE
SCHEMBL7188991 0.90 ABCG2 (0.44) ELANEABCG2PTPN1LMNAMAPT
SCHEMBL7188986 0.90 ABCG2 (0.44) ELANEABCG2PTPN1LMNAMAPT
SCHEMBL7186643 0.88 MAOB (0.45) ELANEABCG2LMNAMAPT
SCHEMBL7186637 0.88 MAOB (0.45) ELANEABCG2LMNAMAPT
SCHEMBL7189198 0.87 ELANE (0.45) ELANEABCG2PTPN1BCHE
SCHEMBL7189192 0.87 ELANE (0.45) ELANEABCG2PTPN1BCHE
SCHEMBL7191491 0.85 ABCG2 (0.46) ELANEABCG2PTPN1LMNAMAPT
SCHEMBL7191493 0.85 ABCG2 (0.46) ELANEABCG2PTPN1LMNAMAPT
SCHEMBL7188849 0.85 ELANE (0.40) ELANEABCG2ESR1PTPN1

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