SCHEMBL30600447

SCHEMBL30600447

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
EPHX2 P34913 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CASP3 P42574 2/20 0.39
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL31185984 1.00 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31440534 0.84 KMT2A (0.42) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6239792 0.83 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL28375820 0.83 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30825151 0.81 KMT2A (0.40) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL1595033 0.80 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL31396078 0.78 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL18981796 0.78 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL8453691 0.78 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL13984381 0.77 MDM4 (0.48) KMT2AEPHX2CASP3MDM4TP53

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-117545850-A Method for ligating polypeptide and oligonucleotide 南洋理工大学 2024-02-09 CN disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed