SCHEMBL29797013

SCHEMBL29797013

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.49
KMT2A Q03164 1/20 0.48
CTSL P07711 1/20 0.47
MDM2 Q00987 4/20 0.46
TLR2 O60603 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
SCHEMBL29384753 1.00 PTPN1 (0.49) PTPN1KMT2ACTSLMDM2TLR2
SCHEMBL30150304 1.00 PTPN1 (0.49) PTPN1KMT2ACTSLMDM2TLR2
SCHEMBL29693014 0.94 PTPN1 (0.55) PTPN1
SCHEMBL30416402 0.94 PTPN1 (0.48) PTPN1KMT2AMDM2
SCHEMBL29787123 0.94 KMT2A (0.52) PTPN1KMT2AMDM2TLR2
SCHEMBL30463269 0.94 KMT2A (0.52) PTPN1KMT2AMDM2TLR2
SCHEMBL16450348 0.93 PTPN1 (0.50) PTPN1KMT2ACTSLMDM2TLR2
SCHEMBL31593154 0.92 KMT2A (0.47) PTPN1KMT2AMDM2TLR2
SCHEMBL120403 0.92 KMT2A (0.53) KMT2AMDM2TLR2
SCHEMBL15521165 0.92 KMT2A (0.53) KMT2AMDM2TLR2

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-116535466-A Polypeptide and preparation method and application thereof 山东省农业科学院 2023-08-04 CN disclosed
CN-114786704-A Active polypeptide compounds 陕西麦科奥特科技有限公司 2022-07-22 CN disclosed