SCHEMBL30487448

SCHEMBL30487448

CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.73
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 4/20 0.43
HSD17B10 Q99714 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAPK1 P28482 1/20 0.42
USP30 Q70CQ3 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7152157 0.92 KMT2A (0.68) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7550451 0.92 KMT2A (0.68) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL31186018 0.89 KMT2A (0.78) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL29359618 0.89 KMT2A (0.78) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL29508500 0.87 KMT2A (0.56) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL30487487 0.86 KMT2A (0.56) KMT2APOLBMAPK1
SCHEMBL30487461 0.86 KMT2A (0.56) KMT2APOLB
SCHEMBL30487470 0.85 KMT2A (0.55) KMT2APOLBSMN1; SMN2ALDH1A1NPSR1
SCHEMBL30689134 0.84 KMT2A (0.68) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL30487479 0.84 KMT2A (0.54) KMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836224-A Tetrapeptide compound TP-5, and preparation method and application thereof 兰州大学 2023-10-03 CN disclosed
CN-116574155-A Tetrapeptide compound TP-4, preparation method and application 兰州大学 2023-08-11 CN disclosed
CN-116535462-A Tetrapeptide compound TP-6, and preparation method and application thereof 兰州大学 2023-08-04 CN disclosed
CN-116535461-A Tetrapeptide compound TP-3, preparation method and application 兰州大学 2023-08-04 CN disclosed