SCHEMBL5500174

SCHEMBL5500174

C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.C[C@@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.C[C@@H](OCc1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.44
TP53 P04637 2/20 0.44
CASP3 P42574 3/20 0.41
KMT2A Q03164 1/20 0.41
TNF P01375 1/20 0.40
PIN1 Q13526 1/20 0.39
SLC17A5 Q9NRA2 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL30785203 0.89 MDM4 (0.49) MDM4TP53CASP3KMT2APIN1
SCHEMBL1738680 0.89 MDM4 (0.49) MDM4TP53CASP3KMT2APIN1
SCHEMBL28341996 0.89 MDM4 (0.49) MDM4TP53CASP3KMT2APIN1
SCHEMBL8037756 0.89 MDM4 (0.49) MDM4TP53CASP3KMT2APIN1
SCHEMBL7713562 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2ATNF
SCHEMBL22433817 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2ATNF
SCHEMBL1737738 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2ATNF
SCHEMBL29908049 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2ATNF
SCHEMBL15521327 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2ATNF
SCHEMBL7713563 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2ATNF

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
EP-1858538-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2007-11-28 EP disclosed
WO-2006078899-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. (US) 2006-07-27 WO disclosed