SCHEMBL31317732

SCHEMBL31317732

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.60
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ MDM2 Q00987 4/20 0.47
▸ TLR2 O60603 3/20 0.46
▸ PIN1 Q13526 1/20 0.45

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
SCHEMBL29389331 0.93 CASP3 (0.57) CASP3MDM4TP53MDM2TLR2
SCHEMBL21738585 0.93 CASP3 (0.57) CASP3MDM4TP53MDM2TLR2
Hydrochloric Acid SCHEMBL21802658 0.92 CASP3 (0.56) CASP3MDM4TP53MDM2TLR2
Hydrochloric Acid SCHEMBL21802660 0.92 CASP3 (0.56) CASP3MDM4TP53MDM2TLR2
SCHEMBL28359770 0.90 CASP3 (0.62) CASP3MDM4TP53KMT2AMDM2
SCHEMBL28359771 0.90 CASP3 (0.62) CASP3MDM4TP53KMT2AMDM2
SCHEMBL30586942 0.90 CASP3 (0.54) CASP3MDM4TP53MDM2TLR2
SCHEMBL16450234 0.89 CASP3 (0.59) CASP3MDM4TP53MDM2TLR2
SCHEMBL29375426 0.89 CASP3 (0.66) CASP3MDM4TP53KMT2AMDM2
SCHEMBL17072397 0.88 CASP3 (0.56) CASP3MDM4TP53MDM2TLR2

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-119462819-A Method for preparing hyaluronic acid peptide 深圳市健元医药科技有限公司 2025-02-18 — — CN disclosed
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