SCHEMBL8305410

SCHEMBL8305410

CC1=C(c2ccc(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)C=CCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
MDM2 Q00987 6/20 0.46
CASP3 P42574 2/20 0.42
PTPN1 P18031 2/20 0.40
TNF P01375 1/20 0.40

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
SCHEMBL29397723 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3
SCHEMBL2304824 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3
SCHEMBL800116 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3
SCHEMBL30905336 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3
SCHEMBL3732469 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3
SCHEMBL29400850 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3
SCHEMBL3224249 0.83 MDM4 (0.44) MDM4TP53MDM2CASP3TNF
SCHEMBL3264342 0.83 MDM4 (0.44) MDM4TP53MDM2CASP3TNF
SCHEMBL3729019 0.82 MDM4 (0.53) MDM4TP53MDM2CASP3PTPN1
SCHEMBL3729015 0.82 MDM4 (0.53) MDM4TP53MDM2CASP3PTPN1

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-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed