SCHEMBL1104124

SCHEMBL1104124

C=CCOCC(O)COC(=O)c1ccccc1C(=O)OCCOC(=O)C(C)(C)CC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
ADRB2 P07550 10/20 0.44
ADRB1 P08588 10/20 0.44
ADRB3 P13945 10/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL25945362 0.85 TSHR (0.42) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1104144 0.83 ADRB2 (0.43) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1104106 0.81 CA1 (0.45) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL21914857 0.81 ADRB2 (0.46) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1104258 0.78 ADRB2 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2384167 0.76 CYP3A4 (0.52) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2742143 0.76 ADRB2 (0.63) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL751954 0.75 ALDH1A1 (0.54) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL1104227 0.75 TSHR (0.57) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL1104236 0.74 ALDH1A1 (0.46) CYP3A4ADRB2ADRB1ADRB3ALDH1A1

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-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed