SCHEMBL7747982

SCHEMBL7747982

CCCCCCCCCCCCCCCCCCNC(=O)CC(=O)NC(=O)CCP(=O)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.47
NAAA Q02083 1/20 0.45
FAAH O00519 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
EPHX1 P07099 5/20 0.41
ENPP2 Q13822 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
S1PR2 O95136 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL7747761 0.90 CASP2 (0.59) CASP2NAAAFAAHCA12CA1
SCHEMBL7743599 0.88 EPHX1 (0.49) CASP2NAAAFAAHCA12CA1
SCHEMBL7747754 0.86 CASP2 (0.44) CASP2NAAAFAAHCA12CA1
SCHEMBL7749125 0.86 HSP90AA1 (0.46) FAAHLPAR1LPAR3ENPP2LPAR2
SCHEMBL13853974 0.83 CASP2 (0.57) CASP2NAAAFAAHCA12CA1
SCHEMBL18248592 0.82 CASP2 (0.56) CASP2NAAAFAAHLPAR1LPAR3
SCHEMBL7747903 0.79 FAAH (0.51) CASP2FAAHLPAR1LPAR3ENPP2
SCHEMBL9575783 0.79 FAAH (0.54) CASP2NAAAFAAHLPAR1ENPP2
SCHEMBL13853970 0.79 FAAH (0.54) CASP2NAAAFAAHLPAR1ENPP2
SCHEMBL7743817 0.78 LPAR1 (0.47) CASP2FAAHLPAR1LPAR3EPHX1

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 2 patents. 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
US-5817599-A COLORLESS DYE PRECURSOR AND REVERSIBLE COLOR DEVELOPER MITSUBISHI PAPER MILLS LIMITED (JP) 1998-10-06 US disclosed