SCHEMBL7185651

SCHEMBL7185651

CC(C)Oc1cccc(OC(C)C)c1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.52
ELANE P08246 11/20 0.47
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL7185654 1.00 ABCG2 (0.52) ABCG2ELANEMAOAMAOBPTPN1
SCHEMBL7191902 0.86 ABCG2 (0.72) ABCG2ELANEMAOAMAOBPTPN1
SCHEMBL7190994 0.86 ABCG2 (0.56) ABCG2ELANEMAOAMAOBPTPN1
SCHEMBL7191905 0.86 ABCG2 (0.72) ABCG2ELANEMAOAMAOBPTPN1
SCHEMBL7190993 0.86 ABCG2 (0.56) ABCG2ELANEMAOAMAOBPTPN1
SCHEMBL7185007 0.86 ELANE (0.43) ABCG2ELANEPTPN1
SCHEMBL7185010 0.86 ELANE (0.43) ABCG2ELANEPTPN1
SCHEMBL7187240 0.85 ABCG2 (0.47) ABCG2MAOAMAOB
SCHEMBL7187237 0.85 ABCG2 (0.47) ABCG2MAOAMAOB
SCHEMBL7184638 0.85 ELANE (0.41) ABCG2ELANEPTPN1

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