SCHEMBL28090334

SCHEMBL28090334

O=C(O)CNCC(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
ATM Q13315 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
LMNA P02545 2/20 0.44
CPB1 P15086 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL14005200 0.85 EPHX2 (0.58) HTTALDH1A1MAPK1L3MBTL1ELANE
SCHEMBL28117958 0.83 ALDH1A1 (0.49) HTTALDH1A1MAPK1L3MBTL1HRH4
SCHEMBL3660419 0.82 HTT (0.56) HTTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL316883 0.82 CA1 (0.66) HTTCA1CA2ALDH1A1MAPK1
SCHEMBL23518457 0.81 ALDH1A1 (0.51) HTTALDH1A1MAPK1L3MBTL1HRH4
SCHEMBL19733921 0.81 ALDH1A1 (0.51) HTTALDH1A1MAPK1L3MBTL1HRH4
SCHEMBL7301249 0.81 ALDH1A1 (0.51) HTTALDH1A1MAPK1L3MBTL1HRH4
SCHEMBL13323438 0.80 ALDH1A1 (0.61) HTTALDH1A1MAPK1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL17335911 0.80 ALDH1A1 (0.50) HTTALDH1A1MAPK1L3MBTL1HRH4
SCHEMBL7510972 0.80 HTT (0.67) HTTALDH1A1MAPK1PRSS1TPSAB1

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-105792852-A Glucose-responsive insulin conjugates 默沙东公司 2016-07-20 CN disclosed