SCHEMBL7190824

SCHEMBL7190824

CCCCOc1ccc(C(C)(C)C)c(OCCCC)c1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
BCHE P06276 10/20 0.40
ACHE P22303 8/20 0.39
DPP4 P27487 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL7191537 0.95 ABCG2 (0.40) ABCG2THRATHRBBCHEACHE
SCHEMBL7191167 0.89 ABCG2 (0.55) ABCG2THRATHRBBCHEACHE
SCHEMBL7179723 0.89 LMNA (0.44) ABCG2CYP1A1CYP1B1
SCHEMBL7179724 0.89 LMNA (0.44) ABCG2CYP1A1CYP1B1
SCHEMBL7180071 0.88 ABCG2 (0.43) ABCG2THRATHRBBCHEACHE
SCHEMBL7185926 0.87 ABCG2 (0.45) ABCG2THRATHRBBCHEACHE
SCHEMBL7179792 0.86 ABCG2 (0.42) ABCG2THRATHRBBCHEACHE
SCHEMBL7191340 0.85 ABCG2 (0.46) ABCG2BCHEACHEDPP4PTPN1
SCHEMBL7185393 0.84 ABCG2 (0.42) ABCG2BCHEACHEDPP4PTPN1
SCHEMBL7177354 0.84 PTPN1 (0.41) ABCG2BCHEACHEPTPN1

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