SCHEMBL8304861

SCHEMBL8304861

C#CC(C)(C)NC(=O)c1nocc1OC(=O)OCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CUL4A Q13619 2/20 0.30
TYMS P04818 1/20 0.30
ANO1 Q5XXA6 1/20 0.30

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
SCHEMBL8957258 0.81 DPP4 (0.38) MEN1KMT2AL3MBTL1NPC1PKM
SCHEMBL8308129 0.80
SCHEMBL9200767 0.71 ALDH1A1 (0.40) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL8308653 0.69 RIPK1 (0.34) L3MBTL1
SCHEMBL27260466 0.64 KDM4E (0.39) KMT2ANPC1PKMRAB9A
SCHEMBL8957126 0.63 NPC1 (0.42) HTTNPC1PKM
SCHEMBL10972566 0.62 ALDH1A1 (0.48) MEN1KMT2ACUL4ATYMS
SCHEMBL18490147 0.62 CYP1A2 (0.37) HTTNPC1
SCHEMBL23990453 0.61 CYP1A2 (0.42) HTTNPC1
SCHEMBL16571753 0.61 HTT (0.48) MEN1KMT2AHTTL3MBTL1

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
EP-0638074-B1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AG (DE) 1999-03-31 EP disclosed
WO-1993022295-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed