SCHEMBL30074491

SCHEMBL30074491

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ PTPN1 P18031 3/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ MDM2 Q00987 1/20 0.50
▸ TLR2 O60603 2/20 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
SCHEMBL29989986 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL29591196 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL1709129 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL5323666 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL29792137 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL7423331 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL29350883 1.00 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL22069879 0.96 PTPN1 (0.49) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL20732318 0.96 PTPN1 (0.49) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL31133584 0.96 PTPN1 (0.49) KMT2AMDM4TP53PTPN1CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340472-A Glutamic acid derivative and synthetic method and application thereof 合肥工业大学 2022-11-15 — — CN claimed
CN-115340472-A Glutamic acid derivative and synthetic method and application thereof 合肥工业大学 2022-11-15 — — CN disclosed
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