SCHEMBL7534535

SCHEMBL7534535

CC(C)(C)Oc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
MDM2 Q00987 4/20 0.47
CASP3 P42574 1/20 0.46
SLC17A5 Q9NRA2 1/20 0.45
ACE P12821 1/20 0.45
PTPN1 P18031 1/20 0.45
TNF P01375 1/20 0.44

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
SCHEMBL30640434 1.00 MDM4 (0.49) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25355516 0.91 MDM2 (0.48) MDM4TP53MDM2CASP3ACE
SCHEMBL31688959 0.91 MDM2 (0.48) MDM4TP53MDM2CASP3ACE
SCHEMBL25355519 0.91 MDM2 (0.48) MDM4TP53MDM2CASP3ACE
SCHEMBL29203319 0.91 PTPN1 (0.51) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29203318 0.91 PTPN1 (0.51) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31369702 0.91 MDM2 (0.49) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25179543 0.90 FPR2 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25179542 0.90 FPR2 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL30802553 0.90 FPR2 (0.53) MDM4TP53MDM2CASP3SLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002016314-A1 SUBSTITUTED POLYAMINE COMPOUNDS H. LUNDBECK A/S (DK) 2002-02-28 WO disclosed