SCHEMBL28699664

SCHEMBL28699664

CON(C)C(=O)c1cc(F)c(C=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.42
ERN1 O75460 7/20 0.35
LMNA P02545 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5 P09917 2/20 0.33
STAT3 P40763 2/20 0.33
NFE2L2 Q16236 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KRAS P01116 1/20 0.32
PTGES O14684 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL3459044 0.82 CES2 (0.48) MLYCDLMNATRPM8CLK1DYRK1A
SCHEMBL24664552 0.79 MLYCD (0.44) MLYCDLMNATRPM8CLK1DYRK1A
SCHEMBL1002689 0.79 MLYCD (0.47) MLYCDLMNATRPM8CLK1DYRK1A
SCHEMBL3651911 0.77 MLYCD (0.47) MLYCDTRPM8CLK1DYRK1ADYRK1B
SCHEMBL23708187 0.76 ERN1 (0.48) MLYCDERN1MAOB
SCHEMBL2883042 0.76 CES2 (0.52) MLYCDERN1LMNATRPM8CLK1
SCHEMBL31346688 0.75 ALOX5 (0.51) MLYCDERN1LMNAMAPK1HTT
SCHEMBL26709446 0.75 LMNA (0.42) MLYCDLMNACLK1DYRK1ADYRK1B
SCHEMBL14059749 0.75 KDM4E (0.52) ERN1LMNANFKB1NFKB2RELA
SCHEMBL24664554 0.74 MLYCD (0.40) MLYCDLMNATRPM8CLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085220-B Substituted morpholine-4-carboxylic acid ester derivatives, compositions and pharmaceutical uses thereof 上海海雁医药科技有限公司 2023-06-16 CN disclosed
CN-114085220-A Substituted morpholine-4-carboxylic ester derivatives, their compositions and their medical use 上海海雁医药科技有限公司 2022-02-25 CN disclosed