SCHEMBL25176590

SCHEMBL25176590

CCOC(=O)NCCCCC(NC(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ACHE P22303 8/20 0.43
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ TGM2 P21980 2/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.41

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
SCHEMBL25176589 1.00 KMT2A (0.45) KMT2APOLBL3MBTL1ACHESIRT2
SCHEMBL19038323 0.89 L3MBTL1 (0.40) KMT2APOLBL3MBTL1ACHESIRT2
SCHEMBL31644317 0.89 EPHX1 (0.50) KMT2APOLBL3MBTL1ACHESIRT2
SCHEMBL11955678 0.89 SIRT2 (0.42) ACHESIRT2SIRT1TGM2SIRT3
SCHEMBL17851524 0.88 SIRT1 (0.40) ACHESIRT2SIRT1TGM2SIRT3
SCHEMBL14771638 0.88 SIRT2 (0.42) ACHESIRT2SIRT1TGM2SIRT3
SCHEMBL13148035 0.87 ACHE (0.59) ACHESIRT2SIRT1SIRT3
SCHEMBL17411229 0.87 ACHE (0.44) KMT2APOLBACHESIRT2SIRT1
SCHEMBL17411230 0.87 L3MBTL1 (0.40) KMT2APOLBL3MBTL1ACHESIRT2
SCHEMBL31039858 0.87 L3MBTL1 (0.40) KMT2APOLBL3MBTL1ACHESIRT2

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-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 — — WO disclosed
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