SCHEMBL22804071

SCHEMBL22804071

COC(=O)N[C@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ TACR3 P29371 1/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ ADAM17 P78536 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ RCOR1 Q9UKL0 1/20 0.42
▸ ITGB3 P05106 5/20 0.41
▸ ITGA2B P08514 5/20 0.41
▸ CCKAR P32238 2/20 0.41
▸ CCKBR P32239 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41

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
SCHEMBL22804073 1.00 MEN1 (0.57) MEN1RECQLKMT2ATACR3TACR1
SCHEMBL22804089 0.94 MEN1 (0.56) MEN1RECQLKMT2ATACR3TACR1
SCHEMBL22804088 0.94 MEN1 (0.56) MEN1RECQLKMT2ATACR3TACR1
SCHEMBL22804099 0.94 MEN1 (0.56) MEN1RECQLKMT2ATACR3TACR1
SCHEMBL17959465 0.86 ADAM17 (0.53) MEN1RECQLKMT2AADAM17ITGB3
SCHEMBL29400289 0.86 ADAM17 (0.53) MEN1RECQLKMT2AADAM17ITGB3
SCHEMBL17959463 0.86 ADAM17 (0.53) MEN1RECQLKMT2AADAM17ITGB3
SCHEMBL22804106 0.86 ADAM17 (0.53) MEN1RECQLKMT2AADAM17ITGB3
SCHEMBL29400895 0.86 ADAM17 (0.53) MEN1RECQLKMT2AADAM17ITGB3
SCHEMBL22804111 0.84 MEN1 (0.49) MEN1RECQLKMT2ATACR3

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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