SCHEMBL7179792

SCHEMBL7179792

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.42
BCHE P06276 5/20 0.38
DPP4 P27487 1/20 0.38
PTPN1 P18031 1/20 0.38
ACHE P22303 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PPARA Q07869 1/20 0.37
WDR5 P61964 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 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
SCHEMBL7190830 0.95 ABCG2 (0.40) ABCG2DPP4CYP1A1CYP1B1ABCC1
SCHEMBL7185258 0.90 PTPN1 (0.41) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7191167 0.89 ABCG2 (0.55) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7185108 0.89 CYP1A1 (0.42) ABCG2CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7185112 0.89 CYP1A1 (0.42) ABCG2CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7180071 0.88 ABCG2 (0.43) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7184886 0.87 ABCG2 (0.45) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7190824 0.86 ABCG2 (0.42) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7182728 0.85 PTPN1 (0.40) ABCG2DPP4PTPN1CYP1A1CYP1B1
SCHEMBL7191340 0.85 ABCG2 (0.46) ABCG2BCHEDPP4PTPN1ACHE

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