SCHEMBL24508685

SCHEMBL24508685

CC(C)CCCOCCNC=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 4/20 0.40
▸ ADH1A P07327 4/20 0.40
▸ ADH1C P00326 3/20 0.40
▸ ADH7 P40394 3/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ ADH4 P08319 1/20 0.38
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL22794222 0.98 ADH1B (0.39) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL24607335 0.92 ADH1B (0.43) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL25827892 0.89 ADH1B (0.43) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL23377979 0.88 ADH1B (0.43) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL27129906 0.81 TDP1 (0.31) MEN1KMT2A
SCHEMBL18908679 0.80 ADH1B (0.43) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL23378342 0.79 ADH1B (0.46) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL271073 0.79 — —
SCHEMBL8186479 0.79 ADH1B (0.54) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL10940490 0.78 ADH1B (0.48) ADH1BADH1AADH1CADH7EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 — — WO disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
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