SCHEMBL7185073

SCHEMBL7185073

C=C(C)Oc1ccc(C(=O)/C=C/c2c(OC(C)(C)C)ccc(CCC)c2OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.39
ABCG2 Q9UNQ0 5/20 0.36
MAOB P27338 2/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
BCHE P06276 3/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
MAOA P21397 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL7185077 1.00 PTPN1 (0.39) PTPN1ABCG2MAOBLMNAMAPT
SCHEMBL7183865 0.89 ELANE (0.40) PTPN1ABCG2MAOBBCHE
SCHEMBL7183868 0.89 ELANE (0.40) PTPN1ABCG2MAOBBCHE
SCHEMBL7178843 0.88 PTPN1 (0.44) PTPN1ABCG2
SCHEMBL7178840 0.88 PTPN1 (0.44) PTPN1ABCG2
SCHEMBL7191557 0.86 ABCG2 (0.46) PTPN1ABCG2MAOBLMNAMAPT
SCHEMBL7191559 0.86 ABCG2 (0.46) PTPN1ABCG2MAOBLMNAMAPT
SCHEMBL7184914 0.85 ABCG2 (0.43) ABCG2MAOBLMNAMAPT
SCHEMBL7184912 0.85 ABCG2 (0.43) ABCG2MAOBLMNAMAPT
SCHEMBL7185082 0.85 PTPN1 (0.46) PTPN1ABCG2MAOBLMNAMAPT

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 4 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
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