SCHEMBL25728007

SCHEMBL25728007

Cc1ccc(CCCC(=O)NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 4/20 0.55
▸ ALB P02768 5/20 0.52
▸ TLR2 O60603 2/20 0.52
▸ TGM2 P21980 2/20 0.50
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL31758278 0.91 ALB (0.62) MDM2ALBTLR2KMT2A
SCHEMBL31369490 0.90 MDM2 (0.63) MDM2TLR2TGM2
SCHEMBL22021739 0.87 MDM2 (0.56) MDM2TLR2TGM2KMT2A
SCHEMBL25728451 0.87 MDM2 (0.44) MDM2ALBTLR2KMT2A
SCHEMBL13246005 0.87 TLR2 (0.55) MDM2TLR2KMT2A
SCHEMBL13246031 0.87 TLR2 (0.55) MDM2TLR2KMT2A
SCHEMBL13311696 0.86 TLR2 (0.61) MDM2TLR2KMT2A
SCHEMBL21908195 0.86 TLR2 (0.66) MDM2TLR2KMT2A
SCHEMBL21326214 0.86 TLR2 (0.66) MDM2TLR2KMT2A
SCHEMBL17747043 0.86 TLR2 (0.66) MDM2TLR2KMT2A

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-2023116856-A1 AROMATIC VINYL COMPOUND, METAL COMPLEX THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海再极医药科技有限公司 2023-06-29 — — WO disclosed
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