SCHEMBL30854556

SCHEMBL30854556

O=C(NC(CCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.57
TP53 P04637 3/20 0.57
MDM2 Q00987 6/20 0.53
CASP3 P42574 2/20 0.52
TLR2 O60603 2/20 0.52
TNF P01375 1/20 0.49

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
SCHEMBL29401188 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL119488 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29401751 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL2307942 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL800091 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29516375 0.93 MDM4 (0.53) MDM4TP53MDM2CASP3TLR2
SCHEMBL430008 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL30861860 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL3732565 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL3733904 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 CN disclosed