SCHEMBL23949791

SCHEMBL23949791

CC[C@H]1[C@@H](C)c2cc(C)cc(C)c2N[C@H]1c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HNF4A P41235 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ LIN28A Q9H9Z2 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSPA1A P0DMV8 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ PSD A5PKW4 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL23949930 0.82 MAPT (0.40) POLBMAPTHNF4AGAALIN28A
SCHEMBL23949923 0.78 MAPT (0.44) POLBMAPTHNF4AGAALIN28A
SCHEMBL23949933 0.77 POLB (0.43) POLBMAPTHNF4AGAALIN28A
SCHEMBL23949460 0.76 HNF4A (0.39) POLBMAPTHNF4AGAALIN28A
SCHEMBL15300303 0.74 MAPT (0.51) POLBMAPTHNF4AGAALIN28A
SCHEMBL15300107 0.73 MAPT (0.79) POLBMAPTGAALIN28AMEN1
SCHEMBL23949491 0.70 MEN1 (0.42) POLBMAPTGAAMEN1KMT2A
SCHEMBL23949919 0.69 FPR1 (0.36) POLBMAPTGAALIN28AMEN1
SCHEMBL23949503 0.67 POLB (0.41) POLBMAPTGAAMEN1KMT2A
SCHEMBL23949921 0.65 NR4A1 (0.41) POLBMAPTGAAMEN1KMT2A

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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