SCHEMBL7184638

SCHEMBL7184638

CC(C)Oc1ccc(C(C)(C)C)c(OC(C)C)c1C=CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.41
PTPN1 P18031 5/20 0.39
TNFRSF1A P19438 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL7184634 1.00 ELANE (0.41) ELANEPTPN1TNFRSF1AABCG2PDE4A
SCHEMBL7185007 0.89 ELANE (0.43) ELANEPTPN1ABCG2PDE4APDE4B
SCHEMBL7185010 0.89 ELANE (0.43) ELANEPTPN1ABCG2PDE4APDE4B
SCHEMBL7185816 0.89 PTPN1 (0.39) PTPN1TNFRSF1AABCG2PDE4APDE4B
SCHEMBL7185821 0.89 PTPN1 (0.39) PTPN1TNFRSF1AABCG2PDE4APDE4B
SCHEMBL7187460 0.88 CAPN1 (0.43) PTPN1ABCG2PDE4APDE4BPDE4C
SCHEMBL7187469 0.88 CAPN1 (0.43) PTPN1ABCG2PDE4APDE4BPDE4C
SCHEMBL7177343 0.87 TNFRSF1A (0.43) ELANEPTPN1TNFRSF1AABCG2
SCHEMBL7177337 0.87 TNFRSF1A (0.43) ELANEPTPN1TNFRSF1AABCG2
SCHEMBL7186280 0.87 PPARA (0.37) TNFRSF1AABCG2PDE4APDE4BPDE4C

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