SCHEMBL22444583

SCHEMBL22444583

O=C(NC(CCc1cncnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MDM2 Q00987 7/20 0.51
▸ TLR2 O60603 2/20 0.47
▸ CASP3 P42574 2/20 0.47

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
SCHEMBL25657538 0.90 MDM4 (0.52) MDM4TP53MDM2TLR2CASP3
SCHEMBL22444658 0.90 MDM4 (0.52) MDM4TP53MDM2TLR2CASP3
SCHEMBL22444779 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3
SCHEMBL27041536 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3
SCHEMBL800091 0.89 MDM4 (0.57) MDM4TP53MDM2TLR2CASP3
SCHEMBL29401751 0.89 MDM4 (0.57) MDM4TP53MDM2TLR2CASP3
SCHEMBL2307942 0.89 MDM4 (0.57) MDM4TP53MDM2TLR2CASP3
SCHEMBL30854556 0.89 MDM4 (0.57) MDM4TP53MDM2TLR2CASP3
SCHEMBL119488 0.89 MDM4 (0.57) MDM4TP53MDM2TLR2CASP3
SCHEMBL29401188 0.89 MDM4 (0.57) MDM4TP53MDM2TLR2CASP3

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
Send feedback