SCHEMBL27898460

SCHEMBL27898460

CN(O)C(=O)C(=O)CC(O)(c1cccc(Cl)c1)c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 3/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ CHRM3 P20309 1/20 0.34
▸ KIF11 P52732 3/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ FADS1 O60427 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32

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
SCHEMBL28016467 0.88 SCN5A (0.41) SCN5ASCN9ACHRM3KIF11CCR2
SCHEMBL27898493 0.87 SCN5A (0.37) SCN5ASCN9ACHRM3KIF11HTR2A
SCHEMBL28801846 0.87 SCN5A (0.41) SCN5ASCN9ACHRM3KIF11HTR2A
SCHEMBL27916156 0.86 OPRK1 (0.39) CHRM3KIF11HTR2AHTR2CADRA1A
SCHEMBL27898451 0.86 RIPK1 (0.32) KIF11RIPK1
SCHEMBL27898448 0.86 KCNN4 (0.36) CHRM3KIF11CCR2OPRM1RIPK1
SCHEMBL27916130 0.84 CRHR1 (0.40) —
SCHEMBL28016464 0.84 ALDH1A1 (0.39) KIF11HTR2AHTR2CADRA1AOPRK1
SCHEMBL27898530 0.82 HTR2A (0.43) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL27898458 0.79 NPC1 (0.39) CCR2ALOX5

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-103012207-B Diaryl propionyl-N-methyl hydroxamic acid type urease inhibitor and synthesis and application thereof UNIV JISHOU 2015-05-27 — — CN disclosed
CN-103012207-A Diaryl propionyl-N-methyl hydroxamic acid type urease inhibitor and synthesis and application thereof UNIV JISHOU 2013-04-03 — — CN disclosed
Send feedback