SCHEMBL29913804

SCHEMBL29913804

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
KMT2A Q03164 2/20 0.45
CASP3 P42574 2/20 0.43
EPHX2 P34913 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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 0.95 FABP5 (0.45) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL28347155 0.95 FABP5 (0.45) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL23038627 0.92 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL23038626 0.92 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL28041336 0.88 KMT2A (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL28041333 0.88 KMT2A (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL16095352 0.88 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL120596 0.88 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29855002 0.88 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL956106 0.88 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2

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-114773433-B CD25 targeted polypeptide, molecular probe and application 北京肿瘤医院(北京大学肿瘤医院) 2022-09-06 CN disclosed