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SCHEMBL31157750

SCHEMBL31157750

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.46
▸ GRB2 P62993 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ FDFT1 P37268 1/20 0.39
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL31157767 0.98 PTPN1 (0.48) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157672 0.96 PTPN1 (0.46) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157733 0.96 PTPN1 (0.49) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157684 0.95 PTPN1 (0.48) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157693 0.95 PTPN1 (0.48) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157734 0.94 PTPN1 (0.47) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157732 0.94 PTPN1 (0.47) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157644 0.94 PTPN1 (0.47) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157704 0.93 PTPN1 (0.46) PTPN1GRB2KMT2AFDFT1TLR2
SCHEMBL31157724 0.93 PTPN1 (0.48) PTPN1GRB2KMT2AFDFT1TLR2

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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