SCHEMBL22804111

SCHEMBL22804111

O=C(N[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MDM4 O15151 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ SLC17A5 Q9NRA2 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ TNF P01375 1/20 0.43
▸ MDM2 Q00987 5/20 0.43
▸ TACR3 P29371 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 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
SCHEMBL22804086 1.00 MEN1 (0.49) MEN1RECQLKMT2AMDM4TP53
SCHEMBL120776 0.95 MDM4 (0.53) MDM4TP53SLC17A5MDM2
SCHEMBL119657 0.95 MDM4 (0.53) MDM4TP53SLC17A5MDM2
SCHEMBL15521164 0.89 MDM4 (0.53) MDM4TP53SLC17A5MDM2
SCHEMBL22804099 0.88 MEN1 (0.56) MEN1RECQLKMT2ATACR3
SCHEMBL22804088 0.88 MEN1 (0.56) MEN1RECQLKMT2ATACR3
SCHEMBL22804089 0.88 MEN1 (0.56) MEN1RECQLKMT2ATACR3
SCHEMBL5969202 0.87 ADAM17 (0.51) MDM4TP53SLC17A5MDM2
SCHEMBL1709188 0.87 ADAM17 (0.51) MDM4TP53SLC17A5MDM2
SCHEMBL1000833 0.87 ADAM17 (0.51) MDM4TP53SLC17A5MDM2

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-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 — — WO disclosed
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