SCHEMBL31124790

SCHEMBL31124790

CC(=O)NN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.80
▸ NOD2 Q9HC29 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ ESR1 P03372 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ AR P10275 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ LGALS8 O00214 2/20 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
SCHEMBL13575286 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL20516489 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL14520991 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL15504324 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL57604 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL6552473 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL57603 0.89 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
N-Acetylglucosamine SCHEMBL28342076 0.86 MAPK1 (0.95) MAPK1NOD2ALDH1A1THRBESR1
Sulfuric Acid SCHEMBL3262877 0.84 MAPK1 (0.91) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL23247948 0.82 MAPK1 (0.80) MAPK1NOD2ALDH1A1THRBESR1

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-118726322-A TseP protein and partial peptide fragment, mutant and application thereof 南方科技大学 2024-10-01 — — CN disclosed
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