SCHEMBL7743825

SCHEMBL7743825

CCCCCCCCCCCCCCCCC(C)SCC(=O)NC(=O)CCOc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
LTA4H P09960 2/20 0.44
PLA2G4B P0C869 4/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PPARG P37231 2/20 0.39
POLB P06746 1/20 0.39
PPARA Q07869 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7747954 0.85 NR5A1 (0.45) NR5A1LTA4HPLA2G4BS1PR1S1PR3
SCHEMBL7749228 0.84 NR5A1 (0.48) NR5A1LTA4HPLA2G4BCNR1CNR2
SCHEMBL7201054 0.82 NR5A1 (0.64) NR5A1LTA4HTP53TSHRCNR1
SCHEMBL7748429 0.81 NR5A1 (0.50) NR5A1LTA4HPLA2G4BS1PR1S1PR3
SCHEMBL7750813 0.81 NR5A1 (0.44) NR5A1LTA4HPLA2G4BS1PR1S1PR3
SCHEMBL7200665 0.79 LTA4H (0.64) NR5A1LTA4HTP53TSHRCNR1
SCHEMBL7743713 0.79 CNR2 (0.53) NR5A1CNR1CNR2
SCHEMBL7201474 0.78 NR5A1 (0.71) NR5A1LTA4HPLA2G4BTP53TSHR
SCHEMBL7743115 0.77 NR5A1 (0.51) NR5A1LTA4HPLA2G4BCNR1CNR2
SCHEMBL7748401 0.77 NR5A1 (0.47) NR5A1LTA4HS1PR1S1PR3TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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