SCHEMBL2190862

SCHEMBL2190862

CC(C)(C)OC(=O)N1CCC(N)(C(=O)O)CC1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
BACE1 P56817 1/20 0.37
NR1H2 P55055 3/20 0.36
RXRA P19793 2/20 0.36
NR1H3 Q13133 2/20 0.36
KDM1A O60341 1/20 0.36
UCHL1 P09936 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KLK7 P49862 1/20 0.35
HSD11B1 P28845 2/20 0.35
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34

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
SCHEMBL2191771 0.94 CASP1 (0.41) CASP1FABP5FABP7BACE1NR1H2
SCHEMBL25345345 0.84 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25344517 0.84 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25344362 0.84 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25968658 0.84 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL4600775 0.81 FABP5 (0.42) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL22892446 0.80 MEN1 (0.50) UCHL1EPHX2KMT2AMEN1KLK7
SCHEMBL26184776 0.79 FABP5 (0.40) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL4601160 0.79 FABP5 (0.39) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL4601435 0.77 FABP5 (0.42) FABP5FABP7EPHX2KMT2AGRM2

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
WO-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed
US-20180186860-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION U.S. DEPARTMENT OF ENERGY 2018-07-05 US disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed