SCHEMBL25728451

SCHEMBL25728451

Cc1ccc(CCCC(=O)NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.44
▸ TLR2 O60603 5/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ ALB P02768 4/20 0.41
▸ TPSAB1 Q15661 2/20 0.38
▸ TLR1 Q15399 1/20 0.38

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
SCHEMBL29323047 0.87 TLR2 (0.46) MDM2TLR2KMT2ATLR1
SCHEMBL25728007 0.87 MDM2 (0.55) MDM2TLR2KMT2AALB
SCHEMBL16925663 0.86 KMT2A (0.53) MDM2TLR2KMT2ATLR1
SCHEMBL18171061 0.84 TLR2 (0.46) MDM2TLR2KMT2ATLR1
SCHEMBL18171062 0.84 TLR2 (0.46) MDM2TLR2KMT2ATLR1
SCHEMBL31259028 0.84 TLR2 (0.46) MDM2TLR2KMT2ATLR1
SCHEMBL14770862 0.83 TLR2 (0.44) MDM2TLR2KMT2A
SCHEMBL31010133 0.82 KMT2A (0.52) MDM2TLR2KMT2ATLR1
SCHEMBL20435349 0.82 KMT2A (0.52) MDM2TLR2KMT2ATLR1
SCHEMBL31493934 0.82 TLR2 (0.51) MDM2TLR2KMT2ATLR1

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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