SCHEMBL31124686

SCHEMBL31124686

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.53
CMA1 P23946 3/20 0.51
NPC1 O15118 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 3/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
USP30 Q70CQ3 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
SCHEMBL31186018 0.87 KMT2A (0.78) KMT2ASMN1; SMN2POLBCMA1NPC1
SCHEMBL29359618 0.87 KMT2A (0.78) KMT2ASMN1; SMN2POLBCMA1NPC1
SCHEMBL31364271 0.86 KMT2A (0.58) KMT2ASMN1; SMN2POLBCMA1NPC1
SCHEMBL31364222 0.84 KMT2A (0.56) KMT2ASMN1; SMN2POLBCMA1NPC1
SCHEMBL30799597 0.83 ITGB1 (0.51) KMT2ACMA1
SCHEMBL30689138 0.83 KMT2A (0.54) KMT2ASMN1; SMN2POLBCMA1NPC1
SCHEMBL29535187 0.83 KMT2A (0.57) KMT2ASMN1; SMN2POLBCMA1NPC1
SCHEMBL3825215 0.82 CMA1 (0.63) KMT2ACMA1HSD17B10MEN1ALDH1A1
SCHEMBL3165695 0.82 CMA1 (0.63) KMT2ACMA1HSD17B10MEN1ALDH1A1
SCHEMBL3165688 0.82 CMA1 (0.63) KMT2ACMA1HSD17B10MEN1ALDH1A1

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
CN-118684727-A GPRP series peptide modified dabigatran derivative, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN claimed
CN-118684727-A GPRP series peptide modified dabigatran derivative, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN disclosed