SCHEMBL7747836

SCHEMBL7747836

CCOC(=O)CCCCCCCCCCOc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.60
ALDH2 P05091 2/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
LTA4H P09960 6/20 0.53
HTT P42858 1/20 0.50
BRD4 O60885 1/20 0.50
MAPT P10636 1/20 0.50
FFAR1 O14842 1/20 0.49
PDK2 Q15119 1/20 0.49

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
SCHEMBL15104736 1.00 NR5A1 (0.60) NR5A1ALDH2MAOAMAOBCYSLTR2
SCHEMBL3466988 0.94 CYSLTR2 (0.59) NR5A1ALDH2MAOAMAOBCYSLTR2
SCHEMBL14570538 0.89 MEN1 (0.59) CYSLTR2CYSLTR1LTA4HHTTBRD4
4-Cyanophenol SCHEMBL8994006 0.89 MMP3 (0.52) NR5A1ALDH2MAOAMAOBCYSLTR2
SCHEMBL7692040 0.89 LTA4H (0.52) NR5A1ALDH2CYSLTR2CYSLTR1LTA4H
SCHEMBL19474670 0.88 LTA4H (0.53) CYSLTR2CYSLTR1LTA4HHTTBRD4
SCHEMBL16264850 0.87 MEN1 (0.60) CYSLTR2CYSLTR1LTA4HBRD4MAPT
SCHEMBL1284955 0.86 LTA4H (0.52) CYSLTR2CYSLTR1LTA4HHTTBRD4
SCHEMBL8080186 0.86 LTA4H (0.58) CYSLTR2CYSLTR1LTA4HBRD4MAPT
SCHEMBL17265678 0.86 LTA4H (0.52) CYSLTR2CYSLTR1LTA4HHTTBRD4

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