SCHEMBL7749246

SCHEMBL7749246

CCCCCCCCCCCCCCCC(CC)OCCCNC(=O)NCNC(=O)CCOc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NR5A1 Q13285 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.39
LTA4H P09960 1/20 0.39
ESR1 P03372 7/20 0.38

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
SCHEMBL7748378 0.95 CNR2 (0.45) MAPTNR5A1SMN1; SMN2CNR2CNR1
SCHEMBL7743745 0.89 NR5A1 (0.50) MAPTNR5A1SMN1; SMN2CNR2CNR1
SCHEMBL7749069 0.87 CNR2 (0.53) MAPTNR5A1CNR2CNR1
SCHEMBL7196644 0.87 NR5A1 (0.54) MAPTNR5A1SMN1; SMN2CNR2CNR1
SCHEMBL7747991 0.86 NR5A1 (0.46) MAPTNR5A1CNR2CNR1LTA4H
SCHEMBL7743821 0.85 NR5A1 (0.49) MAPTNR5A1LTA4HESR1
SCHEMBL7748354 0.85 NR5A1 (0.47) NR5A1CNR2CNR1LTA4H
SCHEMBL7743823 0.84 TSHR (0.47) MAPTNR5A1LTA4HESR1
SCHEMBL7747873 0.84 TSHR (0.47) MAPTNR5A1LTA4HESR1
SCHEMBL7750784 0.84 NR5A1 (0.42) MAPTNR5A1SMN1; SMN2CNR2CNR1

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