SCHEMBL7180220

SCHEMBL7180220

CNc1ccc(C(=O)C=Cc2c(O)c(C)cc(C)c2OC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7180216 1.00 CYP3A4 (0.41) CYP3A4
SCHEMBL7192204 0.89 MAPT (0.46)
SCHEMBL7192207 0.89 MAPT (0.46)
SCHEMBL7191063 0.88 ABCG2 (0.46)
SCHEMBL7191060 0.88 ABCG2 (0.46)
SCHEMBL7181465 0.87 CA1 (0.46)
SCHEMBL7181470 0.87 CA1 (0.46)
SCHEMBL7180055 0.86 MAOB (0.43)
SCHEMBL7180061 0.86 MAOB (0.43)
SCHEMBL7185016 0.85 CTSL (0.39) CYP3A4

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