SCHEMBL7748447

SCHEMBL7748447

CCCCCCCCCCCCCCCCCCNC(=O)NCCCN(CC)CC

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.70
PAOX Q6QHF9 1/20 0.53
ALDH1A1 P00352 1/20 0.51
NAAA Q02083 1/20 0.50
EPHX2 P34913 6/20 0.49
DNM1 Q05193 1/20 0.49
CASP2 P42575 1/20 0.48

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
SCHEMBL7750907 0.91 EPHX1 (0.58) EPHX1PAOXALDH1A1NAAAEPHX2
SCHEMBL7260964 0.90 ALDH1A1 (0.59) EPHX1PAOXALDH1A1
SCHEMBL17415974 0.87 EPHX1 (0.53) EPHX1PAOXALDH1A1EPHX2DNM1
SCHEMBL17415940 0.87 EPHX1 (0.53) EPHX1PAOXALDH1A1EPHX2DNM1
SCHEMBL12974645 0.85 EPHX1 (0.76) EPHX1EPHX2CASP2
SCHEMBL21525430 0.84 EPHX1 (0.61) EPHX1ALDH1A1NAAAEPHX2DNM1
SCHEMBL25223702 0.84 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25226893 0.84 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25272113 0.84 EPHX1 (1.00) EPHX1EPHX2CASP2
SCHEMBL25275041 0.84 EPHX1 (1.00) EPHX1EPHX2CASP2

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-6184180-B1 COMPRISES SUPPORT, REVERSIBLE HEAT-SENSITIVE RECORDING LAYER CONTAINING DYE PRECURSOR WHICH IS COLORLESS OR A PALE COLOR, COLOR DEVELOPER CAPABLE OF CAUSING REVERSIBLE CHANGE IN COLOR DENSITY OF DYE DUE TO DIFFERENCE IN COOLING RATE MITSUBISHI PAPER MILLS LIMITED (JP) 2001-02-06 US disclosed