SCHEMBL7713755

SCHEMBL7713755

CCOc1ccccc1C(=O)OCOC(=O)SCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.48
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL6886504 0.85 TSHR (0.43) HCRTR1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7881875 0.81 TSHR (0.50) TSHRALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL7715831 0.81 HCRTR1 (0.51) HCRTR1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6887636 0.81 TSHR (0.44) HCRTR1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL536025 0.80 TSHR (0.71) HCRTR1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7870279 0.80 ADRB2 (0.45) TSHRALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL6886499 0.78 HCRTR1 (0.43) HCRTR1TSHRALDH1A1HSD17B10SMN1; SMN2
Bicarbonate SCHEMBL5184189 0.77 TSHR (0.67) HCRTR1TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7870110 0.76 NPSR1 (0.56) ALDH1A1SMN1; SMN2GAANPSR1MEN1
SCHEMBL8448318 0.76 LMNA (0.54) TSHRALDH1A1SMN1; SMN2GAAMAPK1

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-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed