SCHEMBL905564

SCHEMBL905564

C=CC(=O)OC(CC)CCCCC.C=CC(=O)OCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 1/20 0.54
HCAR2 Q8TDS4 3/20 0.49
ATM Q13315 1/20 0.41
NAAA Q02083 1/20 0.40
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 1/20 0.38
ABCB1 P08183 1/20 0.38
THRB P10828 1/20 0.37
ZDHHC7 Q9NXF8 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
SCHEMBL28222370 1.00 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8440275 0.96 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL4133153 0.96 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31492758 0.96 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL13945632 0.94 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31636167 0.94 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31636170 0.91 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL4418169 0.91 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6046850 0.91 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11460175 0.91 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4HCAR2

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
EP-2278399-A2 Positive-working resist composition Fujifilm Corporation (JP) 2011-01-26 EP disclosed