Thiophanate

Thiophanate

SCHEMBL7449541

CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC.CO

nearest known ligand 0.68

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HPGD P15428 2/20 0.68
LMNA P02545 1/20 0.68
ALOX15 P16050 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MAPT P10636 1/20 0.56
EPHX1 P07099 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48

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
Thiophanate SCHEMBL29398343 0.98 ALDH1A1 (0.70) ALDH1A1HPGDLMNAALOX15HSD17B10
Thiophanate SCHEMBL20842 0.98 ALDH1A1 (0.70) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL12336304 0.94 ALDH1A1 (0.64) ALDH1A1HPGDLMNAALOX15HSD17B10
Thiophanate SCHEMBL10922494 0.94 ALDH1A1 (0.79) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL11694452 0.94 ALDH1A1 (0.79) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL11835690 0.92 ALDH1A1 (0.62) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL11793473 0.92 ALDH1A1 (0.62) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL11834021 0.92 ALDH1A1 (0.71) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL11837150 0.92 ALDH1A1 (0.62) ALDH1A1HPGDLMNAALOX15HSD17B10
SCHEMBL11821411 0.91 ALDH1A1 (0.60) ALDH1A1HPGDLMNAALOX15HSD17B10

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
EP-1109909-A2 GRF ANALOGS WITH INCREASED BIOLOGICAL POTENCY THERATECHNOLOGIES INC. (CA) 2001-06-27 EP disclosed
WO-2000014236-A2 GRF ANALOGS WITH INCREASED BIOLOGICAL POTENCY THERATECHNOLOGIES INC. (CA) 2000-03-16 WO disclosed