Pebulate

Pebulate

SCHEMBL8467133

CCCCN(CC)C(=O)SCCC.CCSC(=O)N1CCCCCC1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 2/20 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
Vernolate SCHEMBL9331760 0.87 TSHR (0.53) TSHRMAPK1L3MBTL1MEN1KMT2A
Molinate SCHEMBL11745944 0.82 TSHR (0.43) TSHRMAPK1L3MBTL1MEN1KMT2A
Pebulate SCHEMBL8538189 0.80 CA12 (0.52) TSHRMAPK1MEN1KMT2ATDP1
Pebulate SCHEMBL63581 0.80 CA12 (0.52) TSHRMAPK1MEN1KMT2ATDP1
SCHEMBL8104956 0.75 TSHR (0.63) TSHRMAPK1MEN1KMT2ACA12
Molinate SCHEMBL1517528 0.75 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1ALDH1A1
Molinate SCHEMBL63895 0.75 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1ALDH1A1
Molinate SCHEMBL21332448 0.73 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ATDP1ALDH1A1
SCHEMBL25743346 0.73 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ATDP1ALDH1A1
Molinate SCHEMBL9299173 0.72 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATDP1ALDH1A1

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-5922643-A Herbicidal compositions comprising dimethenamid and aryloxyphenoxy herbicides SANDOZ LTD. (CH) 1999-07-13 US disclosed
US-5900388-A CONCURRENT APPLICATION TO CROPS; WITH DOSAGE AT LOWER APPLICATION RATES BASF AG (DE) 1999-05-04 US disclosed