SCHEMBL7195035

SCHEMBL7195035

CCCCCCCCCCCCCCCCCCNC(=O)NNCCOc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.59
LTA4H P09960 2/20 0.52
ESR1 P03372 8/20 0.48
MGLL Q99685 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
EPHX1 P07099 2/20 0.46

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
SCHEMBL7199898 1.00 NR5A1 (0.59) NR5A1LTA4HESR1MGLLTP53
SCHEMBL7193065 0.96 LTA4H (0.59) NR5A1LTA4HESR1MGLL
SCHEMBL7194119 0.96 LTA4H (0.59) NR5A1LTA4HESR1MGLL
SCHEMBL7193598 0.95 NR5A1 (0.59) NR5A1LTA4HESR1TP53TSHR
SCHEMBL7192704 0.95 NR5A1 (0.59) NR5A1LTA4HESR1TP53TSHR
SCHEMBL7199906 0.91 LTA4H (0.59) NR5A1LTA4HESR1
SCHEMBL7196964 0.91 LTA4H (0.59) NR5A1LTA4HESR1
SCHEMBL7201659 0.91 NR5A1 (0.64) NR5A1LTA4HESR1TP53TSHR
SCHEMBL7199768 0.91 NR5A1 (0.64) NR5A1LTA4HESR1TP53TSHR
SCHEMBL7199878 0.89 NR5A1 (0.71) 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