SCHEMBL9223441

SCHEMBL9223441

CCCCCCOC(=O)c1ccccc1C[S]

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
TSHR P16473 5/20 0.74
LMNA P02545 3/20 0.74
MAPK1 P28482 3/20 0.71
CYP3A4 P08684 2/20 0.71
TP53 P04637 1/20 0.71
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL27770561 0.89 ALDH1A1 (0.81) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10889030 0.89 ALDH1A1 (0.81) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL247684 0.89 ALDH1A1 (0.81) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10885387 0.89 ALDH1A1 (0.81) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9216746 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10885092 0.88 TSHR (0.81) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27928240 0.88 ALDH1A1 (0.96) ALDH1A1TSHRLMNAMAPK1CYP3A4
Water SCHEMBL27681204 0.88 ALDH1A1 (0.96) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5407181 0.87 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10885774 0.87 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4

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 9 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-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