SCHEMBL9113480

SCHEMBL9113480

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccccc1CS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.37
TSHR P16473 1/20 0.36
HCRTR1 O43613 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP2 O95551 2/20 0.35
APAF1 O14727 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FTO Q9C0B1 1/20 0.33

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
SCHEMBL9115275 0.92 TSHR (0.36) HCRTR2TSHRHTTALDH1A1HSD17B10
SCHEMBL6292089 0.87 TSHR (0.38) HCRTR2TSHRHTTALDH1A1HSD17B10
SCHEMBL7572967 0.87 ALDH1A1 (0.34) TSHRHTTALDH1A1HSD17B10LMNA
SCHEMBL8747792 0.87 NR1H4 (0.36) HCRTR2TSHRHCRTR1HTTALDH1A1
SCHEMBL8890411 0.87 TSHR (0.34) HCRTR2TSHRHTTALDH1A1TDP2
SCHEMBL8493474 0.86 TSHR (0.37) HCRTR2TSHRHTTALDH1A1HSD17B10
SCHEMBL7576144 0.86 HTT (0.36) HCRTR2TSHRHTTALDH1A1HSD17B10
SCHEMBL8890586 0.85 ALDH1A1 (0.37) HCRTR2TSHRHTTALDH1A1MAPT
SCHEMBL9116296 0.85 TSHR (0.36) HCRTR2TSHRHTTALDH1A1HSD17B10
SCHEMBL8747816 0.84 ELANE (0.42) HCRTR2TSHRHTTALDH1A1HSD17B10

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
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed