SCHEMBL23964055

SCHEMBL23964055

O=C(O)CCCNC(=O)[C@H](NC(=O)CCCN1C(=O)C=CC1=O)[C@@H](NC(=O)CCCN1C(=O)C=CC1O)C(=O)NCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ AKT1 P31749 1/20 0.31
▸ ATM Q13315 1/20 0.30

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
SCHEMBL23482534 0.88 PTGS1 (0.52) PTGS1PTGS2AKT1ATM
SCHEMBL25939244 0.88 PTGS1 (0.52) PTGS1PTGS2AKT1ATM
SCHEMBL25130218 0.88 PTGS1 (0.52) PTGS1PTGS2AKT1ATM
SCHEMBL23451312 0.88 PTGS1 (0.52) PTGS1PTGS2AKT1ATM
SCHEMBL23451319 0.83 PTGS1 (0.50) PTGS1PTGS2AKT1ATM
SCHEMBL23482804 0.83 PTGS1 (0.50) PTGS1PTGS2AKT1ATM
SCHEMBL22044568 0.78 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL24872388 0.78 PTGS1 (0.45) PTGS1PTGS2AKT1ATM
SCHEMBL24872313 0.77 PTGS1 (0.44) PTGS1PTGS2AKT1ATM
SCHEMBL24872323 0.77 PTGS1 (0.44) PTGS1PTGS2AKT1ATM

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-2021212638-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-28 — — WO disclosed
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