SCHEMBL23949923

SCHEMBL23949923

CCc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H](CC)[C@H]2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ LIN28A Q9H9Z2 1/20 0.44
▸ PSD A5PKW4 1/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLA2G4B P0C869 6/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ HNF4A P41235 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PLA2G4A P47712 1/20 0.32
▸ HTR7 P34969 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RXRA P19793 1/20 0.31

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
SCHEMBL23949933 0.87 POLB (0.43) MAPTPOLBGAALIN28APSD
SCHEMBL23949930 0.83 MAPT (0.40) MAPTPOLBGAALIN28APSD
SCHEMBL23949460 0.81 HNF4A (0.39) MAPTPOLBGAALIN28APSD
SCHEMBL23949791 0.78 POLB (0.44) MAPTPOLBGAALIN28APSD
SCHEMBL23949919 0.72 FPR1 (0.36) MAPTPOLBGAALIN28AMEN1
SCHEMBL23949491 0.69 MEN1 (0.42) MAPTPOLBGAAMEN1KMT2A
SCHEMBL23949921 0.68 NR4A1 (0.41) MAPTPOLBGAAMEN1KMT2A
SCHEMBL23949932 0.68 PIN1 (0.37) MAPTALDH1A1
SCHEMBL23949908 0.65 DYRK2 (0.41) MAPTPOLBGAAMEN1KMT2A
Benzoic Acid SCHEMBL29238231 0.59 TSHR (0.56) MAPTGAAKMT2AALDH1A1BCL2

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
WO-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 — — WO disclosed
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