SCHEMBL31398353

SCHEMBL31398353

C=CCOC(=O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.51
▸ TLR2 O60603 2/20 0.49
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CASP3 P42574 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ TNF P01375 3/20 0.46
▸ CASP1 P29466 1/20 0.46

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
SCHEMBL25358998 1.00 MDM2 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL31398346 1.00 MDM2 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL31689003 0.97 MDM2 (0.50) MDM2TLR2MDM4TP53CASP3
SCHEMBL178741 0.94 MDM4 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL29376536 0.94 MDM4 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL119481 0.94 MDM4 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL29407853 0.94 MDM4 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL30055069 0.94 MDM4 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL17633370 0.89 MDM2 (0.51) MDM2TLR2MDM4TP53CASP3
SCHEMBL29624261 0.88 SLC17A5 (0.49) MDM2TLR2MDM4TP53CASP3

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
WO-2025070731-A1 PEPTIDEPEPTIDE ペプチドリーム株式会社 2025-04-03 — — WO disclosed
WO-2025070720-A1 PEPTIDE ペプチドリーム株式会社 2025-04-03 — — WO disclosed
Send feedback