SCHEMBL6141580

SCHEMBL6141580

CCN(CC)CCCOc1cccc(C(=O)C=Cc2ccc(OC)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.53
ACHE P22303 5/20 0.53
MAOB P27338 5/20 0.48
ESR1 P03372 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL4853600 0.90 BCHE (0.51) BCHEACHEMAOBESR1SMN1; SMN2
SCHEMBL4849936 0.90 BCHE (0.51) BCHEACHEMAOBESR1SMN1; SMN2
SCHEMBL4853639 0.87 ABCG2 (0.51) BCHEACHEMAOBESR1SMN1; SMN2
SCHEMBL4851382 0.87 ABCG2 (0.51) BCHEACHEMAOBESR1SMN1; SMN2
SCHEMBL4853019 0.79 MAPT (0.61) BCHEACHEMAOBSMN1; SMN2MEN1
SCHEMBL4854277 0.79 MAPT (0.61) BCHEACHEMAOBSMN1; SMN2MEN1
SCHEMBL7193109 0.79 MAPT (0.67) MAOBSMN1; SMN2MEN1KMT2AABCG2
SCHEMBL8154777 0.79 MAPT (0.67) MAOBSMN1; SMN2MEN1KMT2AABCG2
SCHEMBL7193105 0.79 MAPT (0.67) MAOBSMN1; SMN2MEN1KMT2AABCG2
SCHEMBL4857305 0.77 ABCG2 (0.59) BCHEACHEMAOBSMN1; SMN2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed