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
SCHEMBL14061927 0.70 MIF (0.65) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL4975289 0.70 MIF (0.65) MIFSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL14137061 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
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