SCHEMBL28294748

SCHEMBL28294748

CCC(=O)ONC(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
NR1H4 Q96RI1 1/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 3/20 0.49
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CTSL P07711 1/20 0.43
MAPT P10636 1/20 0.42
HDAC3 O15379 3/20 0.42
TP53 P04637 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
KCNK9 Q9NPC2 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
SCHEMBL28294733 0.83 HDAC1 (0.53) NR1H4HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL14927309 0.80 HDAC8 (0.55) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL13698098 0.80 ACHE (0.60) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL11630586 0.79 ACHE (0.55) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL4315070 0.78 ALDH1A1 (0.61) HDAC8HDAC6KMT2ASMN1; SMN2MEN1
SCHEMBL13155121 0.77 ALDH1A1 (0.57) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL10120025 0.75 HDAC8 (0.59) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL12201883 0.75 HDAC8 (0.77) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL7218374 0.75 ACHE (0.72) ACHENR1H4HDAC8HDAC6KMT2A
SCHEMBL15317677 0.74 NPSR1 (0.74) ACHENR1H4HDAC8HDAC6KMT2A

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-105593225-B novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2019-04-16 CN disclosed