SCHEMBL28808704

SCHEMBL28808704

CC(C)(C)c1ccc(CON(OCc2ccc(C(C)(C)C)cc2)C(=O)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
EPHX1 P07099 6/20 0.42
NPC1 O15118 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ESRRG P62508 2/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL28808706 0.79 IDO1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28808716 0.79 IDO1 (0.46) NR4A2RAB9AL3MBTL1NPC1MEN1
SCHEMBL28808708 0.78 PARP10 (0.45) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL28808697 0.75 RAB9A (0.43) RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL28808705 0.71 IDO1 (0.51) L3MBTL1
SCHEMBL1788828 0.71 SMN1; SMN2 (0.56) NR4A2RXRARXRBRAB9AL3MBTL1
SCHEMBL1788830 0.69 NR4A2 (0.57) NR4A2RXRARXRBRAB9AL3MBTL1
SCHEMBL2092731 0.69 ALDH1A1 (0.60) NR4A2RXRARXRBRAB9AL3MBTL1
SCHEMBL20015915 0.69 SMN1; SMN2 (0.51) NR4A2RXRARXRBRAB9AL3MBTL1
SCHEMBL3816900 0.69 CA2 (0.57) RXRARXRBEPHX2NR1H4EPHX1

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
CN-112079747-B N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof 浙江工业大学 2022-08-16 CN disclosed