SCHEMBL31490569

SCHEMBL31490569

CC(C)(C)OC(=O)NOCC(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL16006885 0.90 KMT2A (0.46) KMT2AEPHX2MALT1TDP1MDM2
SCHEMBL24455203 0.88 KMT2A (0.45) KMT2AEPHX2TDP1TLR2TLR1
SCHEMBL20464124 0.88 KMT2A (0.54) KMT2AEPHX2MALT1TLR2TLR1
SCHEMBL5557644 0.88 KMT2A (0.60) KMT2AEPHX2MALT1TLR2TLR1
SCHEMBL30099527 0.85 KMT2A (0.53) KMT2AEPHX2MALT1TDP1TLR2
SCHEMBL15147193 0.84 KMT2A (0.57) KMT2AEPHX2CASP3
SCHEMBL13247459 0.84 KMT2A (0.57) KMT2AEPHX2MALT1TLR2TLR1
SCHEMBL30678165 0.84 KMT2A (0.57) KMT2AEPHX2MALT1TLR2TLR1
SCHEMBL28227637 0.84 KMT2A (0.57) KMT2AEPHX2MALT1TLR2TLR1
SCHEMBL13631378 0.83 KMT2A (0.65) KMT2AEPHX2MALT1TDP1TLR2

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-2025082283-A1 LIGAND COMPOUND OF CYCLOPEPTIDE STRUCTURE, NUCLIDE MARKER THEREOF, PHARMACEUTICAL COMPOSITION, AND USE 四川科伦博泰生物医药股份有限公司 2025-04-24 — — WO disclosed
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