SCHEMBL30854615

SCHEMBL30854615

COC(=O)C(Cc1ccc(C(=O)O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.48
TP53 P04637 2/20 0.48
CASP3 P42574 1/20 0.48
PTPN1 P18031 3/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL15674248 1.00 MDM4 (0.48) MDM4TP53CASP3PTPN1GAA
SCHEMBL30278721 1.00 MDM4 (0.48) MDM4TP53CASP3PTPN1GAA
SCHEMBL15674468 1.00 MDM4 (0.48) MDM4TP53CASP3PTPN1GAA
SCHEMBL12531899 0.92 ATM (0.53) MDM4TP53CASP3GAAATM
SCHEMBL2977877 0.92 ATM (0.53) MDM4TP53CASP3GAAATM
SCHEMBL13743302 0.92 ATM (0.53) MDM4TP53CASP3GAAATM
SCHEMBL29401932 0.92 ATM (0.53) MDM4TP53CASP3GAAATM
SCHEMBL7316241 0.91 MDM4 (0.54) MDM4TP53CASP3PTPN1KMT2A
SCHEMBL7314631 0.89 IDO1 (0.50) MDM4TP53PTPN1KMT2A
SCHEMBL21838224 0.89 MDM4 (0.52) MDM4TP53CASP3PTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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