SCHEMBL13630599

SCHEMBL13630599

CC#CC(CC)COC(=O)C1CCCCC1C(=O)OCC(C#CC)CC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL7646255 0.76 ALDH1A1 (0.37)
SCHEMBL17126849 0.75 TP53 (0.44) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL12774684 0.75 ADRB2 (0.46) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL7646259 0.74
SCHEMBL6415731 0.73 ALOX15 (0.41)
SCHEMBL28559550 0.72 TP53 (0.48) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL28550950 0.72 TP53 (0.48) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL234626 0.72 TP53 (0.48) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL25235109 0.71 TP53 (0.47) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL1170039 0.71 TP53 (0.47) TP53CYP3A4ADRB2ADRB1ADRB3

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-8313814-B2 Cellulose acylate film, method of producing the same, cellulose derivative film, optically compensatory film using the same, optically-compensatory film incorporating polarizing plate, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-11-20 US disclosed
US-20090290100-A1 Cellulose Acylate Film, Method of Producing the Same, Cellulose Derivative Film, Optically Compensatory Film Using the Same, Optically-Compensatory Film Incorporating Polarizing Plate, Polarizing Plate and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2009-11-26 US disclosed