SCHEMBL9446419

SCHEMBL9446419

COc1ccc2c(c1)CCC(=COC(=O)c1ccccc1)C2=O.COc1ccc2c(c1)CCC(C)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CYP26A1 O43174 5/20 0.47
CYP24A1 Q07973 7/20 0.46
CYP27A1 Q02318 4/20 0.46
ABCB1 P08183 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NFKB1 P19838 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
SCHEMBL9419741 0.90 MIF (0.62) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL630841 0.77 ACHE (0.58) CYP26A1CYP24A1CYP27A1ACHE
SCHEMBL8991660 0.75 MAOB (0.54) MIFSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7517262 0.71 MIF (0.66) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL7158711 0.71 MIF (0.74) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL2872982 0.71 MIF (0.74) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL14137061 0.70 MIF (0.65) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL4975289 0.70 MIF (0.65) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL14061927 0.70 MIF (0.65) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL14286892 0.70 ACHE (0.55) CYP26A1CYP24A1CYP27A1ACHE

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-5204373-A Anticholesterol agents BRISTOL-MYERS SQUIBB COMPANY (US) 1993-04-20 US disclosed