SCHEMBL30861271

SCHEMBL30861271

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ MDM2 Q00987 4/20 0.52
▸ TLR2 O60603 4/20 0.49
▸ PTPN1 P18031 3/20 0.49
▸ FOLH1 Q04609 2/20 0.49
▸ TLR1 Q15399 1/20 0.48

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
SCHEMBL29386955 0.96 MDM2 (0.56) KMT2AMDM2TLR2TLR1
SCHEMBL25991318 0.95 MDM2 (0.55) KMT2AMDM2TLR2TLR1
SCHEMBL30546910 0.95 MDM2 (0.55) KMT2AMDM2TLR2TLR1
SCHEMBL30545031 0.94 MDM2 (0.52) KMT2AMDM2TLR2PTPN1TLR1
SCHEMBL31421902 0.94 MDM2 (0.51) KMT2AMDM2TLR2PTPN1TLR1
SCHEMBL30861273 0.92 KMT2A (0.56) KMT2AMDM2TLR2TLR1
SCHEMBL18092517 0.92 KMT2A (0.60) KMT2AMDM2TLR2PTPN1TLR1
SCHEMBL2292778 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1
SCHEMBL1738182 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1
SCHEMBL30886226 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1

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
CN-117500819-A Lipid and composition 相互药工株式会社 2024-02-02 — — CN disclosed
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