SCHEMBL30106235

SCHEMBL30106235

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ MDM4 O15151 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ TLR2 O60603 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ MDM2 Q00987 1/20 0.44
▸ SLC17A5 Q9NRA2 1/20 0.43

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
SCHEMBL31652454 1.00 KMT2A (0.58) KMT2AMDM4TP53CASP3TLR2
SCHEMBL31652719 0.96 KMT2A (0.57) KMT2AMDM4TP53CASP3TLR2
SCHEMBL29517012 0.89 KMT2A (0.52) KMT2AMDM4TP53CASP3TLR2
SCHEMBL2367647 0.89 KMT2A (0.52) KMT2AMDM4TP53CASP3TLR2
SCHEMBL30153728 0.88 KMT2A (0.55) KMT2AMDM4TP53CASP3TLR2
SCHEMBL12761610 0.87 KMT2A (0.59) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31488784 0.87 KMT2A (0.50) KMT2AMDM4TP53CASP3TLR2
SCHEMBL31462350 0.87 KMT2A (0.50) KMT2AMDM4TP53CASP3TLR2
SCHEMBL31488855 0.87 KMT2A (0.50) KMT2AMDM4TP53CASP3TLR2
SCHEMBL118370 0.86 MDM4 (0.61) KMT2AMDM4TP53CASP3MDM2

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-115541730-B Method for measuring enantiomer of protected amino acid 南京锐志生物医药有限公司 2024-09-27 — — CN disclosed
CN-115541730-A Method for measuring protected amino acid enantiomer 南京锐志生物医药有限公司 2022-12-30 — — CN disclosed
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