SCHEMBL30338216

SCHEMBL30338216

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
MDM4 O15151 2/20 0.58
TP53 P04637 2/20 0.58
TLR2 O60603 2/20 0.57
CASP3 P42574 2/20 0.55
MDM2 Q00987 5/20 0.54
PTPN1 P18031 2/20 0.52
SLC17A5 Q9NRA2 1/20 0.51

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
SCHEMBL29354378 1.00 KMT2A (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL29908078 1.00 KMT2A (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL12254866 1.00 KMT2A (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL29400089 1.00 KMT2A (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL1025352 1.00 KMT2A (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL14997839 1.00 KMT2A (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL12658035 0.95 PTPN1 (0.58) KMT2AMDM4TP53TLR2CASP3
SCHEMBL14719947 0.93 KMT2A (0.57) KMT2AMDM4TP53TLR2CASP3
SCHEMBL22712859 0.93 TLR2 (0.54) KMT2AMDM4TP53TLR2CASP3
D-Glutamate SCHEMBL28574794 0.93 MDM4 (0.52) KMT2AMDM4TP53TLR2CASP3

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-113412271-B Having cysteine residues Hamiltelin derivatives of (C) 住友制药株式会社 2024-10-22 CN disclosed
EP-4158002-A1 COMPOSITIONS AND METHODS FOR ENHANCING VISUAL FUNCTION The Regents of the University of California (US) 2023-04-05 EP disclosed