SCHEMBL25457968

SCHEMBL25457968

COC(=O)NCCOCCOCCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ EPHX1 P07099 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ACHE P22303 7/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL22423305 1.00 MEN1 (0.44) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL25457971 0.98 EPHX1 (0.42) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL9340071 0.85 EPHX1 (0.52) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL29240391 0.85 MEN1 (0.44) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL29721054 0.85 MEN1 (0.44) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL24340304 0.85 MEN1 (0.44) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL29721189 0.85 TSHR (0.44) MEN1KMT2AEPHX1HSP90AA1SMN1; SMN2
SCHEMBL16306496 0.84 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL26346667 0.84 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL20149248 0.84 L3MBTL1 (0.42) MEN1KMT2ASMN1; SMN2LMNAACHE

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
WO-2023081809-A1 TRANS-CYCLOOCTENE-MODIFIED BISPECIFIC ANTIBODIES TAMBO, INC. (US) 2023-05-11 — — WO disclosed
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