SCHEMBL28459608

SCHEMBL28459608

O=C(O)C(O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.52
▸ FABP7 O15540 2/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL29503798 1.00 FABP5 (0.52) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL648282 0.85 KMT2A (0.49) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL2684535 0.83 FABP5 (0.49) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL2684540 0.83 FABP5 (0.49) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL7121169 0.83 KMT2A (0.52) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL27587697 0.83 KMT2A (0.52) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL31222070 0.83 KMT2A (0.52) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL7119225 0.82 KMT2A (0.49) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL9116494 0.82 FABP5 (0.48) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL1829602 0.81 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CA1

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
CN-111757891-A Chemical-enzymatic synthesis of somaglutide, liraglutide and GLP-1 恩细贝普有限公司 2020-10-09 — — CN disclosed
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