SCHEMBL8713406

SCHEMBL8713406

CCCCCC1=NCC(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 6/20 0.34
CDC25B P30305 6/20 0.34
CDC25C P30307 5/20 0.34
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
SCD O00767 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL22715785 0.98 CDC25A (0.37) CDC25ACDC25BCDC25CEPHX2CYP1A2
SCHEMBL6699288 0.90
SCHEMBL6696319 0.88
SCHEMBL6703126 0.81 TSHR (0.30) TSHR
SCHEMBL7098610 0.77 TDP1 (0.31) EPHX2SCD
SCHEMBL11408447 0.74 CDC25A (0.39) CDC25ACDC25BCDC25CCYP1A2ALDH1A1
SCHEMBL28868011 0.74
SCHEMBL7220404 0.64 CDC25A (0.33) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL2494925 0.64 CDC25B (0.33) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL7191709 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998054162-A1 PREPARATION OF ALKYL 4,5-DIHYDRO-η,5-DIOXO-2-ARYL-4-OXAZOLEBUTANOATES FINETECH LTD. (IL) 1998-12-03 WO disclosed
WO-1998054162-A1 PREPARATION OF ALKYL 4,5-DIHYDRO-η,5-DIOXO-2-ARYL-4-OXAZOLEBUTANOATES FINETECH LTD. (IL) 1998-12-03 WO disclosed
US-4443461-A N-[2-[[1-[1H-Indolylalkyl- or oxoalkyl]-4-piperidinyl]-amino]-2-oxoethyl]-arylcarboxamide derivatives JOHN WYETH & BROTHER LIMITED (GB) 1984-04-17 US disclosed
US-4359522-A Photographic element containing a UV-filter layer CIBA-GEIGY AG (CH) 1982-11-16 US disclosed
US-4024272-A Tetracyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-05-17 US disclosed