SCHEMBL8677385

SCHEMBL8677385

C=CCON1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ALOX5 P09917 1/20 0.48
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
RPS6KA2 Q15349 1/20 0.43
ACHE P22303 1/20 0.43
CA4 P22748 1/20 0.43
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1570605 0.80 ALOX5 (0.59) ALDH1A1ALOX5PTPRCS100A4CA12
SCHEMBL12415529 0.77 ALDH1A1 (0.66) ALDH1A1PTPRCS100A4
SCHEMBL6141672 0.77 ALDH1A1 (0.66) ALDH1A1RPS6KA2MAPTCYP3A4TDP1
SCHEMBL13495397 0.76 PTPRC (0.53) ALDH1A1ALOX5PTPRCS100A4CA12
SCHEMBL14588688 0.76 CA12 (0.48) ALDH1A1ALOX5CA12CA9CA1
SCHEMBL30767916 0.75 ALDH1A1 (1.00) ALDH1A1PTPRCMAPTHTT
SCHEMBL1715729 0.75 ALDH1A1 (1.00) ALDH1A1PTPRCMAPTHTT
SCHEMBL1704508 0.74 PTPRC (0.58) ALDH1A1ALOX5PTPRCS100A4CA12
SCHEMBL18017059 0.74 PTPRC (0.50) ALDH1A1ALOX5PTPRCS100A4CA12
SCHEMBL6956819 0.73 ALOX5 (0.62) ALDH1A1ALOX5PTPRCS100A4CA12

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-5760165-A CURABLE ALLYL POLYMERS; HEAT RESISTANCE, STABILITY; ADHESIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (CSIRO) (AU) 1998-06-02 US disclosed