SCHEMBL9216746

SCHEMBL9216746

CCCOC(=O)c1ccccc1C[S]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
TSHR P16473 7/20 0.57
TDP1 Q9NUW8 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP3A4 P08684 2/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 2/20 0.54
HSD17B10 Q99714 3/20 0.50
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 1/20 0.47
PDK2 Q15119 1/20 0.45
ESR1 P03372 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL9279757 0.88 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9223441 0.88 ALDH1A1 (0.74) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6965591 0.86 TSHR (0.69) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6545714 0.85 ALDH1A1 (0.73) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8477782 0.85 ALDH1A1 (0.73) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8477780 0.85 ALDH1A1 (0.73) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL19066309 0.84 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL112063 0.84 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11600078 0.83 ALDH1A1 (0.71) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6596574 0.83 ALDH1A1 (0.71) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455355-A Postemergence, preemergence herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-03 US disclosed
EP-0468690-B1 Pyrimidine derivatives SUMITOMO CHEMICAL CO (JP) 1995-05-31 EP disclosed
US-5298632-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
US-5232897-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-03 US disclosed
EP-0549344-A1 Triazine derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
US-5129938-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-14 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed
EP-0468690-A1 Pyrimidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-29 EP disclosed
EP-0457505-A2 Pyrimidine derivatives and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-21 EP disclosed