SCHEMBL31421902

SCHEMBL31421902

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 4/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TLR2 O60603 5/20 0.48
▸ TLR1 Q15399 1/20 0.47
▸ PTPN1 P18031 4/20 0.46

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 0.94 MDM2 (0.56) MDM2KMT2ATLR2TLR1
SCHEMBL30861271 0.94 KMT2A (0.57) MDM2KMT2ATLR2TLR1PTPN1
SCHEMBL30546910 0.93 MDM2 (0.55) MDM2KMT2ATLR2TLR1
SCHEMBL25991318 0.93 MDM2 (0.55) MDM2KMT2ATLR2TLR1
SCHEMBL30545031 0.93 MDM2 (0.52) MDM2KMT2ATLR2TLR1PTPN1
SCHEMBL30565188 0.93 MDM2 (0.52) MDM2KMT2ATLR2TLR1PTPN1
SCHEMBL2292778 0.91 MDM2 (0.59) MDM2KMT2ATLR2TLR1
SCHEMBL2524769 0.91 MDM2 (0.59) MDM2KMT2ATLR2TLR1
SCHEMBL1738182 0.91 MDM2 (0.59) MDM2KMT2ATLR2TLR1
SCHEMBL30886226 0.91 MDM2 (0.59) MDM2KMT2ATLR2TLR1

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-119630672-A Camptothecin derivative and conjugate thereof, and preparation method and medical application thereof 一线医药(杭州)有限公司 2025-03-14 — — CN disclosed
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