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Sugi Predict / Compounds / SCHEMBL31157724

SCHEMBL31157724

SCHEMBL31157724

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TLR2 O60603 3/20 0.44
▸ FDFT1 P37268 2/20 0.44
▸ MDM2 Q00987 4/20 0.42
▸ GRB2 P62993 1/20 0.41

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
SCHEMBL30463264 1.00 PTPN1 (0.48) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157746 1.00 PTPN1 (0.48) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157648 1.00 PTPN1 (0.48) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157656 0.98 KMT2A (0.47) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157663 0.98 KMT2A (0.47) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157758 0.98 PTPN1 (0.49) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157732 0.96 PTPN1 (0.47) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157734 0.96 PTPN1 (0.47) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157640 0.96 KMT2A (0.47) PTPN1KMT2ATLR2FDFT1MDM2
SCHEMBL31157685 0.96 PTPN1 (0.46) PTPN1KMT2ATLR2FDFT1MDM2

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
EP-3548510-B1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MAT INC (US) 2024-10-02 — — EP disclosed
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