SCHEMBL31236732

SCHEMBL31236732

CC(C)(C)[C@@](CCCCN)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
HTT P42858 1/20 0.44
MBOAT4 Q96T53 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CTSS P25774 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 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
SCHEMBL9300241 0.86 MEN1 (0.46) MEN1KMT2AITGB3ITGA2BHTT
SCHEMBL7410134 0.86 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2CA12
SCHEMBL7410131 0.86 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2CA12
SCHEMBL6500077 0.86 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2CA12
SCHEMBL9087628 0.86 HTT (0.52) MEN1KMT2AHTTSMN1; SMN2CA12
SCHEMBL2777369 0.86 HTT (0.52) MEN1KMT2AHTTSMN1; SMN2CA12
SCHEMBL15966609 0.85 ITGB3 (0.49) MEN1KMT2AITGB3ITGA2BHTT
SCHEMBL3784980 0.85 MEN1 (0.49) MEN1KMT2AITGB3ITGA2BHTT
SCHEMBL375883 0.84 MEN1 (0.48) MEN1KMT2AITGB3ITGA2BHTT
SCHEMBL27863772 0.81 ITGB3 (0.47) MEN1KMT2AITGB3ITGA2BHTT

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-106565824-B Nonspecific protein adsorption resistant polypeptide with controllable enzymatic degradation, monomer and preparation method thereof 浙江大学 2024-11-29 CN disclosed