SCHEMBL6386830

SCHEMBL6386830

COc1ccc(C(=O)C=Cc2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.52
TNFRSF1A P19438 4/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DPP4 P27487 2/20 0.46
PTPN1 P18031 2/20 0.46
MAOB P27338 2/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MAOA P21397 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14280884 0.90 BCHE (0.46) ABCG2TNFRSF1ABCHEACHEPTPN1
SCHEMBL4849986 0.90 BCHE (0.46) ABCG2TNFRSF1ABCHEACHEPTPN1
SCHEMBL4852218 0.90 CAPN1 (0.50) TNFRSF1ABCHEACHEMAPTLMNA
SCHEMBL4849921 0.89 BCHE (0.45) TNFRSF1ABCHEACHEMAPTKDM4E
SCHEMBL4856242 0.89 BCHE (0.45) ABCG2TNFRSF1ABCHEACHEMAPT
SCHEMBL4849165 0.89 BCHE (0.58) ABCG2TNFRSF1ABCHEACHEMAPT
SCHEMBL4853736 0.89 BCHE (0.52) TNFRSF1ABCHEACHEMAPTKDM4E
SCHEMBL4847755 0.87 TNFRSF1A (0.46) ABCG2TNFRSF1APTPN1
SCHEMBL4847433 0.87 TNFRSF1A (0.46) ABCG2TNFRSF1ADPP4PTPN1ALDH1A1
SCHEMBL4846635 0.86 LMNA (0.48) ABCG2TNFRSF1AMAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed