SCHEMBL6567976

SCHEMBL6567976

COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](Oc2ccccc2)C(=O)O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.46
▸ MDM4 O15151 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL30216574 1.00 MDM2 (0.46) MDM2MDM4TP53CASP3FABP5
SCHEMBL16057913 1.00 MDM2 (0.46) MDM2MDM4TP53CASP3FABP5
SCHEMBL3346436 0.85 KMT2A (0.42) MDM2MDM4TP53CASP3FABP5
SCHEMBL28989642 0.84 KMT2A (0.40) MDM2CASP3FABP5KMT2AMEN1
SCHEMBL17094832 0.82 KMT2A (0.40) MDM2CASP3FABP5KMT2AMEN1
SCHEMBL12555211 0.82 KMT2A (0.47) MDM2MDM4TP53CASP3FABP5
SCHEMBL28031977 0.80 NPC1 (0.50) MDM2MDM4TP53CASP3FABP5
SCHEMBL8410923 0.79 KMT2A (0.45) MDM2MDM4TP53CASP3FABP5
SCHEMBL17192730 0.79 KMT2A (0.45) MDM2MDM4TP53CASP3FABP5
SCHEMBL4395836 0.79 KMT2A (0.45) MDM2MDM4TP53CASP3FABP5

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
EP-1402268-A2 CHEMICAL CAPTURE REAGENT Amersham Biosciences UK Limited (GB) 2004-03-31 — — EP disclosed
WO-2003005026-A2 CHEMICAL CAPTURE REAGENT AMERSHAM BIOSCIENCES UK LIMITED (GB) 2003-01-16 — — WO disclosed
WO-1996000391-A1 METHODS FOR THE SYNTHESIS OF DIKETOPIPERAZINES AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 — — WO disclosed
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