SCHEMBL7939680

SCHEMBL7939680

Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
GLO1 Q04760 1/20 0.36
ALOX15 P16050 1/20 0.36
BCAT2 O15382 1/20 0.36
CYP1A2 P05177 1/20 0.35
CSNK2A1 P68400 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HAAO P46952 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL8138242 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1GLO1ALOX15
SCHEMBL30595097 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1GLO1ALOX15
SCHEMBL1358700 0.80 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1GLO1ALOX15
SCHEMBL27316603 0.80 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1GLO1ALOX15
SCHEMBL5639747 0.80 ALOX15 (0.41) ALDH1A1LMNAMAPK1GLO1ALOX15
SCHEMBL7949419 0.79 TSHR (0.46) ALDH1A1LMNAMAPK1L3MBTL1TSHR
SCHEMBL30978691 0.79 LMNA (0.45) ALDH1A1LMNAMAPK1ALOX15BCAT2
SCHEMBL30963122 0.79 L3MBTL1 (0.42) ALDH1A1LMNAMAPK1GLO1ALOX15
SCHEMBL3764955 0.79 LMNA (0.45) ALDH1A1LMNAMAPK1ALOX15BCAT2
SCHEMBL30963123 0.79 LMNA (0.39) ALDH1A1LMNAMAPK1GLO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed