SCHEMBL3687299

SCHEMBL3687299

C=CC(C)(C)c1ccc(OC)c(C(=O)C=Cc2ccc(NCCCN(C)C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.47
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
BCHE P06276 6/20 0.41
ACHE P22303 5/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3684007 1.00 ABCG2 (0.47) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL3693773 0.85 ABCG2 (0.67) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL3686295 0.85 ABCG2 (0.67) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL3684008 0.84 PTPN1 (0.48) ABCG2MEN1MAPTKMT2AL3MBTL1
SCHEMBL4854283 0.77 BCHE (0.45) BCHEACHE
SCHEMBL3690153 0.75 ABCG2 (0.48) ABCG2BCHEACHE
SCHEMBL3684938 0.75 ABCG2 (0.48) ABCG2BCHEACHE
SCHEMBL3692694 0.74 ABCG2 (0.68) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL3687798 0.74 ABCG2 (0.68) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL5915396 0.73 ABCG2 (0.63) ABCG2PDE4APDE4BPDE4CPDE4D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed