SCHEMBL7197983

SCHEMBL7197983

CCCCCCCCCCCCCCCCCCNC(=O)NNC(=O)CCOc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
LTA4H P09960 2/20 0.50
CNR2 P34972 5/20 0.46
CNR1 P21554 3/20 0.46
MAPT P10636 1/20 0.46
ALPI P09923 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7200744 0.96 LTA4H (0.57) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7195847 0.94 NR5A1 (0.58) NR5A1LTA4HCNR2CNR1
SCHEMBL7193140 0.91 NR5A1 (0.57) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7195044 0.91 LTA4H (0.59) NR5A1LTA4HCNR2CNR1
SCHEMBL7195894 0.90 NR5A1 (0.56) NR5A1LTA4HCNR2CNR1
SCHEMBL7195887 0.90 NR5A1 (0.56) NR5A1LTA4HCNR2CNR1
SCHEMBL7195854 0.90 NR5A1 (0.62) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7197958 0.90 NR5A1 (0.62) NR5A1LTA4HCNR2CNR1MAPT
SCHEMBL7199891 0.88 NR5A1 (0.53) NR5A1LTA4HTSHR
SCHEMBL7201401 0.88 LTA4H (0.58) 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