SCHEMBL8624316

SCHEMBL8624316

CCCCCCCCCCNC(=O)C(=O)Nc1cc(O)c(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.50
NAAA Q02083 2/20 0.47
EPHX1 P07099 10/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
DNM1 Q05193 2/20 0.45

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
SCHEMBL8622064 1.00 ALOX12 (0.50) ALOX12NAAAEPHX1ALDH1A1HTT
SCHEMBL8627416 1.00 ALOX12 (0.50) ALOX12NAAAEPHX1ALDH1A1HTT
SCHEMBL8622806 0.92 EPHX2 (0.52)
SCHEMBL8387679 0.86 EPHX1 (0.63) EPHX1ALDH1A1HTT
SCHEMBL8624821 0.85 TRPV1 (0.57) ALOX12NAAAEPHX1ALDH1A1HTT
SCHEMBL8623273 0.85 TRPV1 (0.57) ALOX12NAAAEPHX1ALDH1A1HTT
SCHEMBL8621957 0.85 TRPV1 (0.57) ALOX12NAAAEPHX1ALDH1A1HTT
SCHEMBL8624167 0.84 TRPV1 (0.51) NAAAEPHX1ALDH1A1HTTTRPV1
SCHEMBL8624295 0.84 TRPV1 (0.51) NAAAEPHX1ALDH1A1HTTTRPV1
SCHEMBL8622678 0.84 TRPV1 (0.51) NAAAEPHX1ALDH1A1HTTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed