SCHEMBL22444702

SCHEMBL22444702

COc1ccc(CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.49
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
TNF P01375 3/20 0.47
TLR2 O60603 2/20 0.47
CASP3 P42574 1/20 0.44
PTPN1 P18031 2/20 0.43

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
SCHEMBL22444707 0.91 MDM4 (0.50) MDM2MDM4TP53TNFTLR2
SCHEMBL29633799 0.89 MDM4 (0.42) MDM2MDM4TP53TNFTLR2
SCHEMBL28741623 0.89 MDM4 (0.42) MDM2MDM4TP53TNFTLR2
SCHEMBL22444594 0.89 MDM2 (0.51) MDM2MDM4TP53TNFTLR2
SCHEMBL29277318 0.88 MDM2 (0.50) MDM2MDM4TP53TNFTLR2
SCHEMBL30686138 0.88 MDM2 (0.50) MDM2MDM4TP53TNFTLR2
SCHEMBL29277317 0.88 MDM2 (0.50) MDM2MDM4TP53TNFTLR2
SCHEMBL31634977 0.88 MDM2 (0.48) MDM2MDM4TP53TNFTLR2
SCHEMBL27417735 0.88 MDM2 (0.48) MDM2MDM4TP53TNFTLR2
SCHEMBL29277352 0.87 MDM2 (0.49) 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