SCHEMBL7184858

SCHEMBL7184858

C=C(C)Oc1ccc(C(=O)C=Cc2cc(OCC)ccc2OCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.53
DPP4 P27487 2/20 0.53
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
PTPN1 P18031 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ATM Q13315 2/20 0.51
ALDH1A1 P00352 1/20 0.49
MAOB P27338 7/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7184857 1.00 ABCG2 (0.53) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7184778 0.91 CYP1A1 (0.60) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7184772 0.91 CYP1A1 (0.60) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7186344 0.90 PTPN1 (0.55) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7191522 0.90 DPP4 (0.55) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7192505 0.89 DPP4 (0.63) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7192513 0.89 DPP4 (0.63) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7188822 0.86 DPP4 (0.48) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7188820 0.86 DPP4 (0.48) ABCG2DPP4LMNAMAPTKDM4E
SCHEMBL7180758 0.85 ABCG2 (0.69) ABCG2DPP4LMNAMAPTKDM4E

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