SCHEMBL31138058

SCHEMBL31138058

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.57
▸ GRB2 P62993 1/20 0.52
▸ TLR2 O60603 2/20 0.51
▸ CAPN1 P07384 1/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ MDM2 Q00987 1/20 0.47

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
SCHEMBL30424779 0.95 TLR2 (0.55) PTPN1GRB2TLR2MDM2
SCHEMBL29414974 0.95 TLR2 (0.55) PTPN1GRB2TLR2MDM2
SCHEMBL30749154 0.95 TLR2 (0.55) PTPN1GRB2TLR2MDM2
SCHEMBL31138047 0.95 TLR2 (0.55) PTPN1GRB2TLR2MDM2
SCHEMBL30150290 0.94 TLR2 (0.53) PTPN1TLR2MDM2
SCHEMBL30193301 0.94 TLR2 (0.53) PTPN1TLR2MDM2
SCHEMBL20758846 0.93 TLR2 (0.55) PTPN1TLR2MDM2
SCHEMBL20758974 0.93 TLR2 (0.55) PTPN1TLR2MDM2
SCHEMBL20759079 0.93 TLR2 (0.55) PTPN1TLR2MDM2
SCHEMBL31566096 0.93 TLR2 (0.55) PTPN1TLR2MDM2

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-118878622-B Green chemical synthesis method of illegal stand 中肽生化有限公司 2026-02-27 — — CN disclosed
CN-118878622-A Green chemical synthesis method of illegal stand 中肽生化有限公司 2024-11-01 — — CN disclosed
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