SCHEMBL7196644

SCHEMBL7196644

CCCCCCCCCCCCCCCCCCNC(=O)NCNC(=O)CCOc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.54
LTA4H P09960 2/20 0.48
CNR2 P34972 5/20 0.47
CNR1 P21554 3/20 0.47
MAPT P10636 1/20 0.47
EPHX1 P07099 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7200633 0.97 LTA4H (0.54) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7196701 0.94 NR5A1 (0.56) NR5A1LTA4HCNR2CNR1
SCHEMBL7201663 0.91 LTA4H (0.56) NR5A1LTA4HCNR2CNR1
SCHEMBL7193376 0.91 NR5A1 (0.54) NR5A1LTA4HCNR2CNR1
SCHEMBL7195854 0.90 NR5A1 (0.62) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7197958 0.90 NR5A1 (0.62) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7193140 0.89 NR5A1 (0.57) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7201698 0.89 NR5A1 (0.60) NR5A1LTA4HCNR2CNR1
SCHEMBL7196598 0.88 TSHR (0.52) NR5A1EPHX1
SCHEMBL7197983 0.88 NR5A1 (0.56) NR5A1LTA4HCNR2CNR1MAPT

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-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed
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