SCHEMBL30902873

SCHEMBL30902873

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CC[C@H](N)C(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.39
NOD1 Q9Y239 1/20 0.39
CTSD P07339 2/20 0.38
BACE1 P56817 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLK1 P53350 1/20 0.34
TLR2 O60603 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL31235759 0.90 GLP1R (0.45) GLP1RNOD1CTSDBACE1TLR2
SCHEMBL23071871 0.83 MEN1 (0.38) GLP1RMEN1KMT2A
SCHEMBL31235867 0.83 GLP1R (0.47) GLP1RNOD1
SCHEMBL30902909 0.81 GLP1R (0.43) GLP1R
SCHEMBL30902850 0.80 BACE1 (0.51) NOD1CTSDBACE1
SCHEMBL23071874 0.79 SDCBP (0.37) CTSDBACE1
SCHEMBL24898952 0.78 FNTA (0.38) GLP1RCTSDMEN1KMT2A
SCHEMBL22115945 0.78 FNTA (0.38) GLP1RCTSDMEN1KMT2A
SCHEMBL22115958 0.78 FNTA (0.38) GLP1RCTSDMEN1KMT2A
SCHEMBL16862488 0.78 FNTA (0.38) GLP1RCTSDMEN1KMT2A

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
WO-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed