SCHEMBL28969021

SCHEMBL28969021

COC(=O)c1ccc(-c2nnc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MDM2 Q00987 7/20 0.49
▸ TLR2 O60603 2/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ TNF P01375 1/20 0.41

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
SCHEMBL28969022 1.00 MDM4 (0.50) MDM4TP53MDM2TLR2CASP3
SCHEMBL30306827 0.89 MDM4 (0.41) MDM4TP53MDM2TLR2CASP3
SCHEMBL28969018 0.82 CSNK2A2 (0.49) MDM4TP53MDM2CASP3
SCHEMBL28969020 0.82 CSNK2A2 (0.49) MDM4TP53MDM2CASP3
SCHEMBL28969016 0.81 MDM4 (0.52) MDM4TP53MDM2TLR2CASP3
SCHEMBL28969017 0.81 MDM4 (0.52) MDM4TP53MDM2TLR2CASP3
SCHEMBL27041478 0.78 SLC7A5 (0.50) MDM4TP53MDM2CASP3TNF
SCHEMBL27041482 0.78 SLC7A5 (0.50) MDM4TP53MDM2CASP3TNF
SCHEMBL1768605 0.78 PTPN1 (0.51) MDM2TNF
SCHEMBL1768601 0.78 PTPN1 (0.51) MDM2TNF

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
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 — — EP disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
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