SCHEMBL8104956

SCHEMBL8104956

CCCCN(CC)C(=O)SCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
MAPK1 P28482 1/20 0.63
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA9 Q16790 3/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 1/20 0.42
HPGD P15428 3/20 0.41
MGLL Q99685 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL11454569 0.92 TSHR (0.59) TSHRMAPK1CA12CA1CA9
SCHEMBL9799561 0.91 TSHR (0.75) TSHRMAPK1CA12CA1CA9
SCHEMBL11814114 0.88 TSHR (0.83) TSHRMAPK1CA12CA1CA9
Pebulate SCHEMBL8538189 0.86 CA12 (0.52) TSHRMAPK1CA12CA1CA9
Pebulate SCHEMBL63581 0.86 CA12 (0.52) TSHRMAPK1CA12CA1CA9
SCHEMBL134304 0.82 TSHR (0.65) TSHRMAPK1CA12CA1CA9
SCHEMBL11402152 0.81 CA12 (0.55) TSHRMAPK1CA12CA1CA9
SCHEMBL4263485 0.80 TSHR (0.62) TSHRMAPK1CA12CA1CA9
Butylate SCHEMBL11343126 0.80 TSHR (0.53) TSHRMAPK1CA12CA1CA9
SCHEMBL11402149 0.79 CA12 (0.53) TSHRMAPK1CA12CA1CA9

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117821-A COMPRISING HERBICIDES AND AGRONOMICALLY ACCEPTABLE CARRIERS; USE THEREOF AS BROAD SPECTRUM HERBICIDES WHICH ARE EFFECTIVE AGAINST BOTH MONOCOT AND DICOT WEED SPECIES IN BOTH PREEMERGENCE AND POSTEMERGENCE APPLICATIONS ROHM AND HAAS COMPANY (US) 2000-09-12 US disclosed
US-6025301-A BROAD SPECTRUM HERBICIDES EFFECTIVE AGAINST BOTH MONOCOT AND DICOT WEED SPECIES IN POSTEMERGENCE APPLICATIONS ROHM AND HAAS COMPANY (US) 2000-02-15 US disclosed
US-5883044-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed
US-5866513-A Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1999-02-02 US disclosed
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP disclosed
EP-0862860-A2 Indanone herbicide compositions and use thereof ROHM AND HAAS COMPANY (US) 1998-09-09 EP disclosed
US-5733849-A Halopyridyl triazolinone herbicides and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1998-03-31 US disclosed
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5723414-A APPLYING TO WEEDS ROHM AND HAAS COMPANY (US) 1998-03-03 US disclosed
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US disclosed
US-4083713-A CONTROLLING WEEDS ROHM AND HAAS COMPANY (US) 1978-04-11 US disclosed
US-4082538-A HERBICIDES FOR MONOCOTYLEDONS AND DICOTYLEDONS ROHM AND HAAS COMPANY (US) 1978-04-04 US disclosed
US-4076741-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-02-28 US disclosed
US-4070178-A Herbicidal diphenyl ethers ROHM AND HAAS COMPANY (US) 1978-01-24 US disclosed
US-4063929-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-12-20 US disclosed
US-4059435-A Herbicidal 4-trifluoromethyl-3-cyanoalkoxy-4-nitro diphenyl ethers ROHM AND HAAS COMPANY (US) 1977-11-22 US disclosed
US-4046798-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-09-06 US disclosed
US-4039588-A ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED ROHM AND HAAS COMPANY (US) 1977-08-02 US disclosed
US-3954875-A Benzophenone herbicides ROHM AND HAAS COMPANY (US) 1976-05-04 US disclosed
US-3950379-A HERBICIDES ROHM AND HAAS COMPANY (US) 1976-04-13 US disclosed