SCHEMBL26039743

SCHEMBL26039743

CC(C)(C)OC(=O)N1CCCCC1C(=O)NCCCO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 1/20 0.51
HDAC8 Q9BY41 2/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN3A Q9NY46 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4994907 0.88 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL13165140 0.88 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL5898624 0.88 KMT2A (0.57) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL5898611 0.87 KMT2A (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL6242176 0.86 KMT2A (0.66) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL28629956 0.86 KMT2A (0.66) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL15722147 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8
SCHEMBL13990634 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL13359249 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL16238618 0.84 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1HDAC8

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
EP-4223368-A1 MACROCYCLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed