SCHEMBL7199768

SCHEMBL7199768

CCCCCCCCCCCCCCCCCCNC(=O)NCCOc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.64
LTA4H P09960 2/20 0.56
EPHX1 P07099 5/20 0.54
ESR1 P03372 7/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7201659 1.00 NR5A1 (0.64) NR5A1LTA4HEPHX1ESR1TP53
SCHEMBL7193302 0.96 LTA4H (0.64) NR5A1LTA4HEPHX1ESR1MEN1
SCHEMBL7198378 0.96 LTA4H (0.64) NR5A1LTA4HEPHX1ESR1MEN1
SCHEMBL7194084 0.96 NR5A1 (0.71) NR5A1LTA4HEPHX1ESR1TP53
SCHEMBL7199878 0.96 NR5A1 (0.71) NR5A1LTA4HEPHX1ESR1TP53
SCHEMBL7194096 0.92 LTA4H (0.70) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7750940 0.92 NR5A1 (0.65) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7197299 0.92 LTA4H (0.70) NR5A1LTA4HEPHX1TP53TSHR
SCHEMBL7749223 0.91 NR5A1 (0.64) NR5A1LTA4HESR1TP53TSHR
SCHEMBL7192704 0.91 NR5A1 (0.59) NR5A1LTA4HESR1TP53TSHR

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