SCHEMBL31647183

SCHEMBL31647183

COc1ccc(C(SC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.56
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ SLC17A5 Q9NRA2 1/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ TLR2 O60603 2/20 0.45
▸ TNF P01375 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL29398288 0.91 MDM4 (0.54) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29402061 0.91 MDM4 (0.54) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL25081912 0.86 MDM4 (0.49) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL28857934 0.84 PPARA (0.56) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL1738379 0.84 PPARA (0.56) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL119478 0.83 MDM2 (0.59) MDM2MDM4TP53CASP3TLR2
SCHEMBL29561499 0.83 MDM2 (0.56) MDM2MDM4TP53CASP3TLR2
SCHEMBL119621 0.83 MDM2 (0.56) MDM2MDM4TP53CASP3TLR2
SCHEMBL21639223 0.83 MDM2 (0.54) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29460482 0.83 MDM2 (0.54) MDM2MDM4TP53SLC17A5CASP3

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-2025133607-A1 COLLAGEN RELATED PEPTIDE PPLUS SKIN CARE LIMITED (GB) 2025-06-26 — — WO disclosed
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