SCHEMBL7750826

SCHEMBL7750826

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)C(=O)NCCCOc1ccc(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
NAAA Q02083 1/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
NR5A1 Q13285 1/20 0.38

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
SCHEMBL7748382 0.91 NR5A1 (0.49) NR5A1
SCHEMBL7196965 0.84 ADRB2 (0.55) ADRB2CNR2CNR1TRPV1NAAA
SCHEMBL7749083 0.83 ADRB2 (0.50) ADRB2CNR2CNR1TRPV1NAAA
SCHEMBL7743827 0.82 NR5A1 (0.49) NR5A1
SCHEMBL7749322 0.82 NR5A1 (0.49) NR5A1
SCHEMBL7749313 0.81 NR5A1 (0.51) NR5A1
SCHEMBL7749142 0.80 NR5A1 (0.46) NR5A1
SCHEMBL7750897 0.80 NR5A1 (0.46) NR5A1
SCHEMBL7749228 0.79 NR5A1 (0.48) CNR2CNR1NR5A1
SCHEMBL7743620 0.79 ADRB2 (0.45) ADRB2CNR2CNR1TRPV1NAAA

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