SCHEMBL2758499

SCHEMBL2758499

CCC(C)c1ccc(OC(C)OCCOc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
BACE1 P56817 1/20 0.39
DHFR P00374 2/20 0.37
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SOD1 P00441 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
SCHEMBL2758506 0.92 SLC7A5 (0.42) SLC7A5ALDH1A1TSHRMEN1KMT2A
SCHEMBL2758498 0.90 ALDH1A1 (0.46) SLC7A5ALDH1A1TSHRMEN1KMT2A
SCHEMBL111973 0.89 ALDH1A1 (0.49) SLC7A5LTA4HALDH1A1TSHRMEN1
SCHEMBL683276 0.88 ACACB (0.43) SLC7A5LTA4HALDH1A1TSHRTDP1
SCHEMBL3323839 0.85 LTA4H (0.41) LTA4HBACE1DHFRFFAR1FFAR4
SCHEMBL2758470 0.85 NPSR1 (0.49) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL683291 0.85 LTA4H (0.49) SLC7A5LTA4HALDH1A1TSHRMEN1
SCHEMBL682190 0.84 TSHR (0.44) SLC7A5LTA4HALDH1A1TSHRMEN1
SCHEMBL2758478 0.84 TDP1 (0.48) SLC7A5ALDH1A1TSHRMEN1KMT2A
SCHEMBL682221 0.83 SLC7A5 (0.41) SLC7A5ALDH1A1TSHRMEN1KMT2A

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-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed