SCHEMBL14432835

SCHEMBL14432835

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.59
TP53 P04637 3/20 0.59
SLC17A5 Q9NRA2 1/20 0.56
CASP3 P42574 2/20 0.54
KMT2A Q03164 2/20 0.51
MDM2 Q00987 5/20 0.51
TLR2 O60603 2/20 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
SCHEMBL14788958 1.00 MDM4 (0.59) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL18881272 0.94 MDM4 (0.54) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL3436129 0.91 MDM4 (0.58) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL29400770 0.91 MDM4 (0.58) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL1001473 0.91 MDM4 (0.58) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL30665728 0.90 MDM4 (0.51) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL16310689 0.90 MDM4 (0.57) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL10020438 0.90 MDM4 (0.54) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL1739174 0.90 MDM4 (0.54) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL22154133 0.89 MDM4 (0.56) MDM4TP53SLC17A5CASP3KMT2A

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
US-8765817-B1 Selective inhibitors of EG5 motors and methods of use ARROWHEAD CENTER, INC. (US) 2014-07-01 US disclosed
US-8349899-B1 Selective inhibitors of EG5 motors and methods of use ARROWHEAD CENTER, INC. (US) 2013-01-08 US disclosed