SCHEMBL2191771

SCHEMBL2191771

CC(C)(C)OC(=O)C1CC(N)(C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
BACE1 P56817 1/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 2/20 0.35
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
KDM1A O60341 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRM6 O15303 1/20 0.33
MDM2 Q00987 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL2190862 0.94 CASP1 (0.41) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25968658 0.90 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25344517 0.90 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25344362 0.90 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL25345345 0.90 CASP1 (0.42) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL26184776 0.81 FABP5 (0.40) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL25968400 0.80 CASP1 (0.40) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL4600775 0.77 FABP5 (0.42) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL25968518 0.76 CASP1 (0.39) CASP1FABP5FABP7BACE1EPHX2
SCHEMBL28864147 0.76 EPHX2 (0.44) FABP5FABP7EPHX2KMT2AKDM1A

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
CN-111978371-B Polypeptide derivative and application thereof in field of medicine 成都诺和晟泰生物科技有限公司 2022-05-13 CN disclosed
CN-111978371-A Polypeptide derivative and application thereof in field of medicine 成都诺和晟泰生物科技有限公司 2020-11-24 CN disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed