SCHEMBL28969016

SCHEMBL28969016

COC(=O)c1ccc(-c2nnc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MDM2 Q00987 7/20 0.51
▸ MME P08473 1/20 0.45
▸ TLR2 O60603 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SLC17A5 Q9NRA2 1/20 0.42

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
SCHEMBL28969017 1.00 MDM4 (0.52) MDM4TP53MDM2MMETLR2
SCHEMBL30306804 0.89 MDM4 (0.42) MDM4TP53MDM2MAPTL3MBTL1
SCHEMBL31524007 0.82 MDM4 (0.55) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL28969035 0.82 MDM4 (0.46) MDM4TP53MDM2NPC1RAB9A
SCHEMBL28969036 0.82 MDM4 (0.46) MDM4TP53MDM2NPC1RAB9A
SCHEMBL31524119 0.81 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL28969022 0.81 MDM4 (0.50) MDM4TP53MDM2TLR2CASP3
SCHEMBL28969021 0.81 MDM4 (0.50) MDM4TP53MDM2TLR2CASP3
SCHEMBL27041482 0.76 SLC7A5 (0.50) MDM4TP53MDM2CASP3
SCHEMBL27041478 0.76 SLC7A5 (0.50) MDM4TP53MDM2CASP3

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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