SCHEMBL8068607

SCHEMBL8068607

CCCCCC1NC(=O)N(C[C]=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HLCS P50747 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 2/20 0.33
FAAH O00519 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ABL1 P00519 2/20 0.31
RIN1 Q13671 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL8716129 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL6360842 0.76 LMNA (0.47) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL9186739 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAITGB3
SCHEMBL11492447 0.73 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL11491775 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL11483368 0.71 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL11492446 0.70 ADH1B (0.36) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL11495094 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL11486565 0.70 GAA (0.34) ALDH1A1MEN1KMT2AHLCSLMNA
SCHEMBL11492479 0.70 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAITGB3

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
US-6018053-A Process for the preparation of chiral, nonracemic (4-aryl-2,5-dioxoimidazolidin-1-yl) acetic acids HOECHST AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed