Sugi Predict

Sugi Predict / Compounds / SCHEMBL30806199

SCHEMBL30806199

SCHEMBL30806199

NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.50
▸ TLR2 O60603 4/20 0.49
▸ GRB2 P62993 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ ECE1 P42892 1/20 0.44

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
SCHEMBL13451280 0.90 TLR2 (0.52) PTPN1TLR2GRB2
SCHEMBL20758846 0.89 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL20758974 0.89 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL20759079 0.89 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL31566096 0.89 TLR2 (0.55) PTPN1TLR2ACEECE1
SCHEMBL30099539 0.88 PTPN1 (0.57) PTPN1TLR2GRB2ACEECE1
SCHEMBL30193301 0.88 TLR2 (0.53) PTPN1TLR2ECE1
SCHEMBL30150290 0.88 TLR2 (0.53) PTPN1TLR2ECE1
SCHEMBL29774268 0.87 PTPN1 (0.57) PTPN1TLR2ACEECE1
SCHEMBL30598967 0.86 TLR2 (0.55) PTPN1TLR2ECE1

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-117567560-A TGase enzyme response type polypeptide and hydrogel preparation method and application thereof 泰州市人民医院 2024-02-20 — — CN claimed
CN-117567560-A TGase enzyme response type polypeptide and hydrogel preparation method and application thereof 泰州市人民医院 2024-02-20 — — CN disclosed
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