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SCHEMBL31157650

SCHEMBL31157650

CSCC[C@H](NC(=O)[C@H](CCC(=O)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](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.46
▸ PTPN1 P18031 5/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ FDFT1 P37268 2/20 0.42
▸ MDM2 Q00987 2/20 0.40

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
SCHEMBL31157687 1.00 TLR2 (0.46) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157677 0.97 TLR2 (0.45) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157648 0.96 PTPN1 (0.48) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157746 0.96 PTPN1 (0.48) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL30463264 0.96 PTPN1 (0.48) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157724 0.96 PTPN1 (0.48) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157663 0.94 KMT2A (0.47) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157656 0.94 KMT2A (0.47) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157758 0.94 PTPN1 (0.49) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157639 0.94 PTPN1 (0.43) TLR2PTPN1KMT2A

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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