SCHEMBL22995641

SCHEMBL22995641

O=C(O)C[C@H](NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 1/20 0.53
RPS6KA5 O75582 3/20 0.52
AKT1 P31749 3/20 0.52
GSK3B P49841 3/20 0.52
NEK4 P51957 3/20 0.52
PRKCD Q05655 3/20 0.52
PRKG2 Q13237 3/20 0.52
ROCK1 Q13464 3/20 0.52
PRKG1 Q13976 3/20 0.52
PKN2 Q16513 3/20 0.52
CLK4 Q9HAZ1 3/20 0.52
MAPK13 O15264 2/20 0.52
ROCK2 O75116 2/20 0.52

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
SCHEMBL5027698 1.00 MEN1 (0.61) MEN1KMT2AKDM4EGAALMNA
SCHEMBL3717471 1.00 MEN1 (0.61) MEN1KMT2AKDM4EGAALMNA
SCHEMBL27761114 0.90 CTSA (0.62) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL21274965 0.89 PRNP (0.60) MEN1KMT2AGAALMNAMAPT
SCHEMBL29157147 0.89 LMNA (0.58) MEN1KMT2AKDM4EGAALMNA
SCHEMBL7822835 0.89 KDM4E (0.67) KDM4EGAACYP26A1CTSAITGB3
SCHEMBL9830762 0.89 KDM4E (0.55) MEN1KMT2AKDM4EGAALMNA
SCHEMBL14327771 0.88 MEN1 (0.59) MEN1KMT2AKDM4EGAALMNA
SCHEMBL27553133 0.86 MEN1 (0.66) MEN1KMT2AKDM4EGAALMNA
SCHEMBL5202836 0.86 KDM4E (0.59) MEN1KMT2AKDM4EGAALMNA

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-2021030359-A1 PALM FOR THE TREATMENT OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY INCIDENTAL TO THE TREATMENT OF CANCER PEPTINOVO BIOPHARMA, LLC (US) 2021-02-18 WO disclosed