Butylate

Butylate

SCHEMBL8466988

CCCN(CCC)C(=O)SCC.CCSC(=O)N(CC(C)C)CC(C)C

nearest known ligand 0.74

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
MAPK1 P28482 1/20 0.74
CA12 O43570 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CA1 P00915 4/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MLYCD O95822 1/20 0.35
P2RX1 P51575 2/20 0.34
P2RX4 Q99571 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX3 P56373 1/20 0.32
TP53 P04637 1/20 0.32
BCHE P06276 1/20 0.31
FDPS P14324 1/20 0.31

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
Butylate SCHEMBL11143078 0.93 TSHR (0.65) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL10487951 0.92 TSHR (0.59) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL10835867 0.92 TSHR (0.62) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL9725729 0.90 TSHR (0.57) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL8539930 0.90 TSHR (0.56) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL10399541 0.90 TSHR (0.56) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL66484 0.90 TSHR (0.56) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL395574 0.88 TSHR (0.54) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL787504 0.88 TSHR (0.54) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL11689530 0.88 TSHR (0.54) TSHRMAPK1CA12CA2CA9

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-5908809-A Synergistic herbicidal compositions of dimethenamid and uracil herbicides BASF AG (DE) 1999-06-01 US disclosed