SCHEMBL28969035

SCHEMBL28969035

C=CCOC(=O)[C@H](Cc1nnc(-c2ccc(C(=O)O)cc2)o1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ MDM2 Q00987 7/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CASP3 P42574 2/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ POLB P06746 2/20 0.37

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
SCHEMBL28969036 1.00 MDM4 (0.46) MDM4TP53MDM2NPC1RAB9A
SCHEMBL30306804 0.92 MDM4 (0.42) MDM4TP53MDM2NPC1RAB9A
SCHEMBL28969018 0.82 CSNK2A2 (0.49) MDM4TP53MDM2CASP3CSNK2A2
SCHEMBL28969020 0.82 CSNK2A2 (0.49) MDM4TP53MDM2CASP3CSNK2A2
SCHEMBL28969016 0.82 MDM4 (0.52) MDM4TP53MDM2NPC1RAB9A
SCHEMBL28969017 0.82 MDM4 (0.52) MDM4TP53MDM2NPC1RAB9A
SCHEMBL28968885 0.82 MDM4 (0.40) MDM4TP53MDM2NPC1RAB9A
SCHEMBL21764273 0.77 MDM4 (0.47) MDM4TP53MDM2CASP3CASP1
SCHEMBL29532800 0.77 MDM4 (0.47) MDM4TP53MDM2CASP3CASP1
SCHEMBL31080842 0.76 MDM4 (0.44) MDM4TP53MDM2CASP3CASP1

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
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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