SCHEMBL26512754

SCHEMBL26512754

CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.56
▸ KMT2A Q03164 1/20 0.49
▸ MDM2 Q00987 3/20 0.48
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TNF P01375 2/20 0.45
▸ CASP3 P42574 1/20 0.44

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
SCHEMBL26512809 1.00 TLR2 (0.56) TLR2KMT2AMDM2MDM4TP53
SCHEMBL26512797 1.00 TLR2 (0.56) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17746957 0.93 TLR2 (0.56) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17746955 0.93 TLR2 (0.56) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17747064 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53
SCHEMBL26512921 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17747075 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17747066 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53
SCHEMBL26513050 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17747076 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53

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-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 — — WO disclosed
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