SCHEMBL21762792

SCHEMBL21762792

COC(=O)C(NC(C)=O)P(=O)(O)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.36
▸ MMP1 P03956 3/20 0.34
▸ MMP2 P08253 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LAP3 P28838 1/20 0.32
▸ MMP3 P08254 1/20 0.31

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
SCHEMBL12903898 0.83 MMP1 (0.37) PLA2G2AMMP1MMP2CA12CA1
SCHEMBL712601 0.82 SMN1; SMN2 (0.33) PLA2G2AMMP1MMP2CA12CA1
SCHEMBL16869942 0.77 PLA2G2A (0.31) PLA2G2ASMN1; SMN2
SCHEMBL16592307 0.77 CA12 (0.40) CA12CA1CA2
SCHEMBL9304618 0.72 CYP3A4 (0.41) PLA2G2ACA12CA1CA2CA9
SCHEMBL4860398 0.71 LMNA (0.34) PLA2G2AMMP1MMP2CA12CA1
SCHEMBL10366299 0.70 MMP1 (0.39) MMP1MMP2CA12CA1CA2
SCHEMBL5231692 0.69 KDM4E (0.36) PLA2G2AMMP1MMP2CA12CA1
SCHEMBL25669502 0.68 ALDH1A1 (0.38) PLA2G2AMMP1MMP2CA12CA1
SCHEMBL12903896 0.67 MMP1 (0.37) MMP1MMP2CA12CA1CA2

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
EP-3359522-B1 PROCESS FOR PREPARATION OF N-BOC BIPHENYL ALANINOL CHIRAL QUEST SUZHOU CO LTD (CN) 2020-02-26 — — EP disclosed
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