SCHEMBL8954635

SCHEMBL8954635

Cc1c(O)cccc1C1CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
TRPA1 O75762 1/20 0.43
ATM Q13315 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS2 P35354 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CEL P19835 1/20 0.36

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
SCHEMBL4301114 1.00 HTR2C (0.44) HTR2CTRPA1ATMHDAC4HDAC2
SCHEMBL17666843 0.98 HTR2C (0.46) HTR2CTRPA1ATMHDAC4HDAC2
SCHEMBL930210 0.90 HTR2C (0.48) HTR2CTRPA1ATMHDAC4HDAC2
SCHEMBL6863507 0.86 NUDT1 (0.44) HTR2CTRPA1ATMHDAC4HDAC2
SCHEMBL7861267 0.86 NUDT1 (0.44) HTR2CTRPA1ATMHDAC4HDAC2
SCHEMBL31240954 0.86 HTR2C (0.52) HTR2CPTGDR2PTGS2HTR1AHTR7
SCHEMBL22781622 0.81 HTR2C (0.42) HTR2CTRPA1ATMCHRNB2CHRNA4
SCHEMBL30152751 0.81 NUDT1 (0.42) TRPA1ATMHDAC4HDAC2HDAC8
SCHEMBL4608024 0.81 NUDT1 (0.42) TRPA1ATMHDAC4HDAC2HDAC8
SCHEMBL1053897 0.80 HDAC4 (0.46) HDAC4HDAC2HDAC8KMT2AMEN1

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
EP-0412765-B1 Light-sensitive coating liquid KONISHIROKU PHOTO IND (JP) 1996-01-03 EP disclosed
US-5279917-A Printing plate KONICA CORPORATION (JP) 1994-01-18 US disclosed
US-5279922-A Containing o-quinonediazide positive and diazo resin negative KONICA CORPORATION (JP) 1994-01-18 US disclosed
EP-0512845-A2 Light-sensitive planographic printing plate and light-sensitive composition KONICA CORPORATION (JP) 1992-11-11 EP disclosed
EP-0412765-A1 Light-sensitive coating liquid KONICA CORPORATION (JP) 1991-02-13 EP disclosed