SCHEMBL8893047

SCHEMBL8893047

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.60
MDM4 O15151 1/20 0.59
TP53 P04637 1/20 0.59
TLR2 O60603 2/20 0.58
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
CASP3 P42574 2/20 0.54

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
SCHEMBL8892538 1.00 MDM2 (0.60) MDM2MDM4TP53TLR2KMT2A
SCHEMBL8426773 0.94 MDM2 (0.58) MDM2MDM4TP53TLR2KMT2A
SCHEMBL16744149 0.94 TLR2 (0.66) MDM2MDM4TP53TLR2CASP3
SCHEMBL16744148 0.94 TLR2 (0.66) MDM2MDM4TP53TLR2CASP3
SCHEMBL18614182 0.94 TLR2 (0.66) MDM2MDM4TP53TLR2CASP3
SCHEMBL16744151 0.94 TLR2 (0.66) MDM2MDM4TP53TLR2CASP3
SCHEMBL8425079 0.94 MDM2 (0.55) MDM2MDM4TP53TLR2KMT2A
SCHEMBL12466711 0.94 KMT2A (0.66) MDM2MDM4TP53TLR2KMT2A
SCHEMBL20357051 0.94 TLR2 (0.66) MDM2MDM4TP53TLR2CASP3
SCHEMBL19299530 0.94 TLR2 (0.60) MDM2MDM4TP53TLR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610141-A CELL DIVISION STIMULANT NYCOMED IMAGING AS (NO) 1997-03-11 US disclosed
EP-0673388-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-09-27 EP disclosed
WO-1993024523-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed