SCHEMBL29080291

SCHEMBL29080291

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ FABP5 Q01469 3/20 0.39
▸ FABP7 O15540 2/20 0.39
▸ CASP3 P42574 1/20 0.37
▸ TLR2 O60603 2/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL30600451 1.00 KMT2A (0.40) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL29080293 1.00 KMT2A (0.40) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL30566274 0.89 FABP5 (0.42) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL29267382 0.89 FABP5 (0.42) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL29267376 0.89 FABP5 (0.42) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL29267373 0.89 FABP5 (0.42) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL18747984 0.87 KMT2A (0.41) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL29603847 0.87 KMT2A (0.41) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL27714933 0.87 KMT2A (0.41) KMT2AFABP5FABP7CASP3TLR2
SCHEMBL29267374 0.87 TLR2 (0.41) KMT2AFABP5FABP7CASP3TLR2

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-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
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