SCHEMBL7747763

SCHEMBL7747763

CCCCCCCCCCCCCCCCCCNC(=O)NCNC(=O)CCP(=O)(OCCCC)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.50
CASP2 P42575 1/20 0.46
NAAA Q02083 1/20 0.44
LPAR1 Q92633 2/20 0.41
ENPP2 Q13822 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
EPHX2 P34913 5/20 0.41
DNM1 Q05193 1/20 0.40
LPAR3 Q9UBY5 2/20 0.40

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
SCHEMBL7743727 0.86 EPHX1 (0.59) EPHX1EPHX2
SCHEMBL8589706 0.82 CASP2 (0.43) EPHX1CASP2NAAALPAR1ENPP2
SCHEMBL7750830 0.82 CASP2 (0.43) EPHX1CASP2NAAALPAR1ENPP2
SCHEMBL7743599 0.81 EPHX1 (0.49) EPHX1CASP2NAAAEPHX2LPAR3
SCHEMBL7747761 0.80 CASP2 (0.59) EPHX1CASP2NAAALPAR1ENPP2
SCHEMBL10874643 0.79 LPAR1 (0.42) NAAALPAR1ENPP2LPAR2LPAR3
SCHEMBL7747903 0.77 FAAH (0.51) CASP2LPAR1ENPP2LPAR2DNM1
SCHEMBL10875416 0.76 EPHX1 (0.86) EPHX1CASP2EPHX2
SCHEMBL28916250 0.76 HSP90AA1 (0.55) EPHX1LPAR1ENPP2LPAR2LPAR3
SCHEMBL7747785 0.76 EPHX1 (0.61) EPHX1EPHX2

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