SCHEMBL31157677

SCHEMBL31157677

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](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.45
▸ PTPN1 P18031 5/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FDFT1 P37268 1/20 0.40
▸ GRB2 P62993 1/20 0.39
▸ IL23R Q5VWK5 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ GLP1R P43220 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ GIPR P48546 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
SCHEMBL31157639 0.97 PTPN1 (0.43) TLR2PTPN1KMT2AGRB2GLP1R
SCHEMBL31157650 0.97 TLR2 (0.46) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157687 0.97 TLR2 (0.46) TLR2PTPN1KMT2AFDFT1MDM2
SCHEMBL31157640 0.97 KMT2A (0.47) TLR2PTPN1KMT2AFDFT1GRB2
SCHEMBL31157656 0.95 KMT2A (0.47) TLR2PTPN1KMT2AFDFT1GRB2
SCHEMBL31157663 0.95 KMT2A (0.47) TLR2PTPN1KMT2AFDFT1GRB2
SCHEMBL31157695 0.94 PTPN1 (0.44) TLR2PTPN1KMT2AFDFT1GRB2
SCHEMBL31157735 0.93 PTPN1 (0.46) TLR2PTPN1KMT2AFDFT1GRB2
SCHEMBL31157692 0.93 PTPN1 (0.46) TLR2PTPN1KMT2AFDFT1GRB2
SCHEMBL31157724 0.93 PTPN1 (0.48) TLR2PTPN1KMT2AFDFT1GRB2

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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