SCHEMBL28383136

SCHEMBL28383136

O=C(CCNC(=O)OCc1ccccc1)OC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PRSS1 P07477 2/20 0.57
CTSG P08311 1/20 0.57
CTRB1 P17538 1/20 0.57
CMA1 P23946 1/20 0.57
TGM2 P21980 1/20 0.56
PRSS2 P07478 1/20 0.55
ELANE P08246 1/20 0.55
PRSS3 P35030 1/20 0.55
TPSAB1 Q15661 1/20 0.55
TPSD1 Q9BZJ3 1/20 0.55
TPSG1 Q9NRR2 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55

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
SCHEMBL9784821 0.91 HTT (0.78) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7139436 0.89 HTT (0.76) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL2398676 0.89 HTT (0.71) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL2516832 0.89 HTT (0.66) HTTLMNASMN1; SMN2GAAMEN1
SCHEMBL5142301 0.88 HTT (0.69) HTTLMNASMN1; SMN2TGM2ELANE
SCHEMBL7347005 0.87 HTT (0.57) HTTLMNASMN1; SMN2GAAMEN1
SCHEMBL127662 0.87 HTT (0.82) HTTLMNASMN1; SMN2GAAMEN1
SCHEMBL3295121 0.86 HTT (0.62) HTTLMNASMN1; SMN2GAAMEN1
SCHEMBL125651 0.86 HTT (0.67) HTTLMNASMN1; SMN2GAAMEN1
SCHEMBL13055383 0.86 LMNA (0.80) HTTLMNASMN1; SMN2GAAMEN1

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-111051289-A Protected L-carnosine derivative, L-carnosine and method for producing crystalline L-carnosine zinc complex 株式会社德山 2020-04-21 CN disclosed