SCHEMBL29996002

SCHEMBL29996002

CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.50
▸ MDM2 Q00987 4/20 0.46
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL8078352 1.00 TLR2 (0.50) TLR2MDM2MDM4TP53
SCHEMBL7924260 1.00 TLR2 (0.50) TLR2MDM2MDM4TP53
SCHEMBL17637485 0.90 TLR2 (0.50) TLR2MDM2
SCHEMBL10078719 0.89 KMT2A (0.55) TLR2MDM2
SCHEMBL29398159 0.89 KMT2A (0.55) TLR2MDM2
SCHEMBL1738726 0.88 TLR2 (0.44) TLR2MDM2
SCHEMBL2066552 0.87 MDM4 (0.47) MDM2MDM4TP53
SCHEMBL15203241 0.87 TLR2 (0.54) TLR2MDM2MDM4TP53
SCHEMBL9654639 0.87 TLR2 (0.54) TLR2MDM2MDM4TP53
SCHEMBL17151010 0.87 FDFT1 (0.46) MDM2MDM4TP53

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
US-20220307063-A1 METHOD FOR ANALYZING MICROBIAL FLORA NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2022-09-29 — — US disclosed
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