SCHEMBL7199878

SCHEMBL7199878

CCCCCCCCCCNC(=O)NCCCCCCOc1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.71
LTA4H P09960 2/20 0.62
EPHX1 P07099 5/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 1/20 0.54
RARB P10826 3/20 0.51
ESR1 P03372 1/20 0.49

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
SCHEMBL7194084 1.00 NR5A1 (0.71) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7750940 0.96 NR5A1 (0.65) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7194096 0.96 LTA4H (0.70) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7197299 0.96 LTA4H (0.70) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7201659 0.96 NR5A1 (0.64) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7199768 0.96 NR5A1 (0.64) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7749224 0.92 NR5A1 (0.60) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7193302 0.92 LTA4H (0.64) NR5A1LTA4HEPHX1ESR1
SCHEMBL7198378 0.92 LTA4H (0.64) NR5A1LTA4HEPHX1ESR1
SCHEMBL7197076 0.91 NR5A1 (0.71) NR5A1LTA4HTP53TSHRPLA2G4B

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