SCHEMBL28347155

SCHEMBL28347155

COC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.45
KMT2A Q03164 2/20 0.44
FABP7 O15540 2/20 0.43
CASP3 P42574 3/20 0.43
EPHX2 P34913 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 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
SCHEMBL28347157 1.00 FABP5 (0.45) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL29913804 0.95 FABP5 (0.47) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL23038626 0.87 FABP5 (0.41) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL23038627 0.87 FABP5 (0.41) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL4625858 0.84 FABP5 (0.48) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL19461820 0.84 FABP5 (0.44) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL28041333 0.83 KMT2A (0.41) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL28041336 0.83 KMT2A (0.41) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL16095352 0.83 FABP5 (0.46) FABP5KMT2AFABP7CASP3EPHX2
SCHEMBL120596 0.83 FABP5 (0.46) FABP5KMT2AFABP7CASP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627868-B A kind of18F-labeled compound and legumain-targeted PET imaging probe 江苏省原子医学研究所 2021-05-18 CN disclosed
CN-110627868-A A kind of18F-labeled compound and legumain-targeted PET imaging probe 江苏省原子医学研究所 2019-12-31 CN disclosed