SCHEMBL30972553

SCHEMBL30972553

CC(C)(C)OC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ DPP4 P27487 9/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ FAP Q12884 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ CMA1 P23946 2/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL29468837 0.98 KMT2A (0.41) KMT2ADPP4DPP8FAPDPP9
SCHEMBL30852867 0.89 CAPN1 (0.41) DPP4DPP8FAPDPP9DPP7
SCHEMBL29468849 0.85 REN (0.45) —
SCHEMBL29397117 0.85 DPP4 (0.46) KMT2ADPP4DPP8FAPDPP9
SCHEMBL30096897 0.84 MEN1 (0.45) KMT2ADPP7MEN1
SCHEMBL30051232 0.84 KMT2A (0.51) KMT2ADPP4DPP8FAPDPP9
SCHEMBL29408003 0.84 DPP4 (0.45) KMT2ADPP4DPP8FAPDPP9
SCHEMBL29397226 0.83 DPP4 (0.44) KMT2ADPP4DPP8FAPDPP9
SCHEMBL29438447 0.82 DPP4 (0.43) KMT2ADPP4DPP8FAPDPP9
SCHEMBL30051327 0.81 KMT2A (0.56) KMT2ADPP4DPP8FAPDPP9

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-2024134676-A1 PROCESS FOR THE PREPARATION OF TIRZEPATIDE DR. REDDY’S LABORATORIES LIMITED (IN) 2024-06-27 — — WO claimed
Send feedback