SCHEMBL31542039

SCHEMBL31542039

C[C@H](NCc1cc(O)c(O)c(O)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.40
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
CD274 Q9NZQ7 5/20 0.39
PDCD1 Q15116 2/20 0.39
SELL P14151 3/20 0.39
SELP P16109 3/20 0.39
SELE P16581 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
NR4A2 P43354 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL9462879 0.83 ERCC1 (0.59) ERCC1ERCC4CD274PDCD1POLB
SCHEMBL2376172 0.77 GAA (0.58) CD274KDM4EALDH1A1MAPK1TDP1
SCHEMBL7112240 0.77 THRB (0.61) POLBALDH1A1LMNAMAPTHPGD
SCHEMBL7112243 0.77 THRB (0.61) POLBALDH1A1LMNAMAPTHPGD
SCHEMBL3556483 0.76 SIGMAR1 (0.55) MEP1BCD274NR4A2POLBALDH1A1
SCHEMBL497817 0.76 SIGMAR1 (0.55) MEP1BCD274NR4A2POLBALDH1A1
SCHEMBL497818 0.76 SIGMAR1 (0.55) MEP1BCD274NR4A2POLBALDH1A1
SCHEMBL29102647 0.75 ALOX15 (0.47) ERCC1ERCC4CD274PDCD1NR4A2
SCHEMBL30578849 0.75 ALOX15 (0.47) ERCC1ERCC4CD274PDCD1NR4A2
SCHEMBL28047824 0.75 CD274 (0.41) CD274PDCD1NR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119639278-A Liquid ink containing charge director nano particles 上海蓝帕新材料科技有限公司 2025-03-18 CN claimed
CN-119639278-A Liquid ink containing charge director nano particles 上海蓝帕新材料科技有限公司 2025-03-18 CN disclosed