SCHEMBL22444598

SCHEMBL22444598

COc1cccc(CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.56
MDM4 O15151 3/20 0.51
TP53 P04637 3/20 0.51
TNF P01375 1/20 0.49
TLR2 O60603 2/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL3230219 0.90 MDM2 (0.53) MDM2MDM4TP53TNFCASP3
SCHEMBL799782 0.90 MDM2 (0.53) MDM2MDM4TP53TNFCASP3
SCHEMBL30229489 0.90 MDM2 (0.53) MDM2MDM4TP53TNFCASP3
SCHEMBL3728111 0.90 MDM2 (0.53) MDM2MDM4TP53TNFCASP3
SCHEMBL31369702 0.90 MDM2 (0.49) MDM2MDM4TP53TNFTLR2
SCHEMBL22444788 0.89 MDM2 (0.63) MDM2MDM4TP53TNFTLR2
SCHEMBL22444972 0.89 MDM2 (0.63) MDM2MDM4TP53TNFTLR2
SCHEMBL28741610 0.89 MDM4 (0.46) MDM2MDM4TP53TNF
SCHEMBL22444691 0.88 MDM2 (0.54) MDM2MDM4TP53TNFTLR2
SCHEMBL26009075 0.88 MDM2 (0.54) MDM2MDM4TP53TNFTLR2

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-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed