SCHEMBL7749256

SCHEMBL7749256

CCCCCC(CCCC)OCCCCCCNC(=O)NCNC(=O)COc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
NR5A1 Q13285 1/20 0.43
EGFR P00533 10/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G4B P0C869 4/20 0.39
PLA2G4A P47712 1/20 0.39
LTA4H P09960 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
SCHEMBL7196598 0.88 TSHR (0.52) TSHRRECQLNR5A1EGFRALDH1A1
SCHEMBL7201068 0.88 TSHR (0.52) TSHRRECQLNR5A1EGFRALDH1A1
SCHEMBL7747723 0.87 TSHR (0.51) TSHRRECQLNR5A1EGFRALDH1A1
SCHEMBL7748378 0.85 CNR2 (0.45) NR5A1LTA4H
SCHEMBL7743661 0.85 TSHR (0.42) TSHRRECQLNR5A1EGFRALDH1A1
SCHEMBL7198344 0.85 LTA4H (0.50) TSHRRECQLNR5A1EGFRLTA4H
SCHEMBL7198292 0.85 LTA4H (0.50) TSHRRECQLNR5A1EGFRLTA4H
SCHEMBL7749306 0.84 TSHR (0.43) TSHRRECQLNR5A1EGFRALDH1A1
SCHEMBL7749246 0.84 MAPT (0.43) NR5A1LTA4H
SCHEMBL7747873 0.83 TSHR (0.47) TSHRRECQLNR5A1ALDH1A1PLA2G4B

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