SCHEMBL29790983

SCHEMBL29790983

O=C(NCCB(O)O)OCc1ccc2c(c1)COC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.35
TPSAB1 Q15661 3/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
GAA P10253 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
PRSS1 P07477 2/20 0.34
TGM2 P21980 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL1466479 0.75 CYP3A4 (0.56) NAAA
SCHEMBL20641674 0.75 LMNA (0.67) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL20563946 0.68 LMNA (0.40) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL30627616 0.68 NAMPT (0.51) LMNAHTTMAPT
SCHEMBL20051406 0.66 CYP2C9 (0.49) LMNASMN1; SMN2TPSAB1MEN1KMT2A
SCHEMBL5173443 0.65 GAA (0.48) LMNAHTTMAPTGAAMEN1
SCHEMBL27168861 0.64 LMNA (0.48) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL22604494 0.64 ALDH1A1 (0.49)
SCHEMBL22604495 0.64 ALDH1A1 (0.49)
SCHEMBL29356674 0.63 CA12 (0.35)

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed