SCHEMBL29006376

SCHEMBL29006376

COc1ccc(N(CC(O)O)C(=O)CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
RNF4 P78317 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BCL2A1 Q16548 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
BACE1 P56817 1/20 0.39
LDHA P00338 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9135292 0.81 KEAP1 (0.51) RNF4TSHR
SCHEMBL7039304 0.78 CA1 (0.46) RNF4ALDH1A1CA1CA2PARP1
SCHEMBL19969179 0.78 RNF4 (0.40) RNF4TSHRALDH1A1BCL2A1CA1
SCHEMBL28810656 0.78 PPARG (0.47) RNF4TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL17336430 0.77 PPIB (0.52) ALDH1A1CA1CA2PARP1PARP10
SCHEMBL9134064 0.77 NR1D1 (0.42) RNF4TSHRALDH1A1BCL2A1CA1
SCHEMBL4868746 0.76 TRPM8 (0.48) TSHRALDH1A1CA1CA2PARP1
SCHEMBL9155738 0.75 LMNA (0.46) RNF4TSHRTP53NPC1MAPT
SCHEMBL10507235 0.74 ALDH1A1 (0.46) RNF4TSHRALDH1A1BCL2A1NPC1
SCHEMBL9471594 0.73 TRPM8 (0.52) RNF4TSHRALDH1A1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178982-B Disperse dye compound containing benzoate groups and heterocyclic rings and application thereof 浙江龙盛集团股份有限公司 2024-04-05 CN disclosed
CN-116200050-A Disperse blue-to-black dye composition and dye product thereof 浙江龙盛集团股份有限公司 2023-06-02 CN disclosed
CN-116200048-A Disperse dye compound containing benzoate groups and application thereof 浙江龙盛集团股份有限公司 2023-06-02 CN disclosed
CN-116178982-A Disperse dye compound containing benzoate groups and heterocyclic rings and application thereof 浙江龙盛集团股份有限公司 2023-05-30 CN disclosed