SCHEMBL25457971

SCHEMBL25457971

COC(=O)NCCOCCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ACHE P22303 7/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL25457968 0.98 MEN1 (0.44) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL22423305 0.98 MEN1 (0.44) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9340071 0.87 EPHX1 (0.52) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25457850 0.83 MAPK1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29721054 0.82 MEN1 (0.44) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29721189 0.82 TSHR (0.44) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL24340304 0.82 MEN1 (0.44) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29240391 0.82 MEN1 (0.44) EPHX1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20149248 0.82 L3MBTL1 (0.42) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL19658253 0.82 TSHR (0.42) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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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