SCHEMBL11201428

SCHEMBL11201428

CC(C)COP(=O)(O)OCl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
LAP3 P28838 3/20 0.33
ANPEP P15144 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 2/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
MMP1 P03956 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL269622 0.85 CYP3A4 (0.38) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL23387514 0.84 PGK1 (0.33) LAP3ALDH1A1TSHRPGK1PGK2
SCHEMBL11758345 0.83 CYP3A4 (0.37) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL1396965 0.83 CYP3A4 (0.37) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL11142547 0.81 BTN3A1 (0.38) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL11295657 0.79 PLA2G2A (0.42) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL3951836 0.77 BTN3A1 (0.48)
SCHEMBL25657143 0.77 TSHR (0.40) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL28584705 0.77 ANPEP (0.37) CYP3A4GAALAP3ANPEPERAP1
SCHEMBL11201424 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58152850-A None JP disclosed
WO-2021060336-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE 持田製薬株式会社 2021-04-01 WO disclosed
JP-S58152850-A DECAPEPTIDE EISAI CO LTD 1983-09-10 JP disclosed