SCHEMBL31398319

SCHEMBL31398319

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ MDM2 Q00987 5/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ SLC17A5 Q9NRA2 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ FDFT1 P37268 1/20 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
SCHEMBL3218391 1.00 MDM4 (0.53) MDM4TP53TLR2MDM2CASP3
SCHEMBL31461329 0.90 TLR2 (0.57) MDM4TP53TLR2MDM2CASP3
SCHEMBL9062116 0.90 MDM4 (0.58) MDM4TP53TLR2MDM2CASP3
SCHEMBL9062110 0.90 MDM4 (0.58) MDM4TP53TLR2MDM2CASP3
SCHEMBL800035 0.89 FDFT1 (0.57) MDM4TP53TLR2MDM2CASP3
SCHEMBL1486194 0.89 SLC17A5 (0.58) MDM4TP53TLR2MDM2CASP3
SCHEMBL29768618 0.89 FDFT1 (0.57) MDM4TP53TLR2MDM2CASP3
SCHEMBL4600701 0.89 FDFT1 (0.57) MDM4TP53TLR2MDM2CASP3
SCHEMBL800305 0.89 FDFT1 (0.57) MDM4TP53TLR2MDM2CASP3
SCHEMBL29400804 0.89 FDFT1 (0.57) MDM4TP53TLR2MDM2CASP3

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