SCHEMBL1104258

SCHEMBL1104258

C=C(C)C(=O)OCC(O)COC(=O)c1ccccc1C(=O)OCCC(=O)OCCOC(=O)C(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.39
ADRB1 P08588 10/20 0.39
ADRB3 P13945 10/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL1104144 0.94 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL16864557 0.84 TSHR (0.41) TSHRLMNA
SCHEMBL1104101 0.83 TSHR (0.40) TSHRLMNA
SCHEMBL18058333 0.81 TSHR (0.49) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2531577 0.79 TSHR (0.56) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL1104253 0.79 ALDH1A1 (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14680434 0.78 ALDH1A1 (0.52) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL801344 0.78 ALDH1A1 (0.52) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL25784315 0.78 THRB (0.47) ALDH1A1TSHRTDP1
SCHEMBL25784312 0.78 THRB (0.47) ALDH1A1TSHRTDP1

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