SCHEMBL30854430

SCHEMBL30854430

O=C(N[C@@H](COCCCO)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.57
▸ MDM4 O15151 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ TNF P01375 3/20 0.50
▸ CASP3 P42574 2/20 0.48
▸ MDM2 Q00987 3/20 0.48

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
SCHEMBL22108925 1.00 TLR2 (0.57) TLR2MDM4TP53TNFCASP3
SCHEMBL22109013 1.00 TLR2 (0.57) TLR2MDM4TP53TNFCASP3
SCHEMBL21837746 0.93 MDM4 (0.55) TLR2MDM4TP53TNFCASP3
SCHEMBL21837748 0.93 MDM4 (0.55) TLR2MDM4TP53TNFCASP3
SCHEMBL30854567 0.93 MDM4 (0.55) TLR2MDM4TP53TNFCASP3
SCHEMBL31688821 0.90 TLR2 (0.56) TLR2MDM4TP53TNFCASP3
SCHEMBL16003008 0.90 TLR2 (0.66) TLR2MDM4TP53TNFCASP3
SCHEMBL5574418 0.90 TLR2 (0.66) TLR2MDM4TP53TNFCASP3
SCHEMBL30517297 0.90 TLR2 (0.66) TLR2MDM4TP53TNFCASP3
SCHEMBL13464731 0.90 TLR2 (0.66) TLR2MDM4TP53TNFCASP3

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-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 — — CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 — — CN disclosed
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