SCHEMBL7811504

SCHEMBL7811504

Cc1ccc(C(=O)S)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
NTRK1 P04629 1/20 0.38
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KAT6A Q92794 1/20 0.31
ADRA2A P08913 1/20 0.31
CLCN2 P51788 1/20 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
SCHEMBL12327908 0.80 HPGD (0.55) HPGDHTTL3MBTL1CES2CES1
SCHEMBL489533 0.80 HPGD (0.55) HPGDHTTL3MBTL1CES2CES1
SCHEMBL29688713 0.80 HPGD (0.55) HPGDHTTL3MBTL1CES2CES1
SCHEMBL2396879 0.78 HPGD (0.53) HPGDHTTL3MBTL1CES2CES1
SCHEMBL5342753 0.78 HPGD (0.53) HPGDHTTL3MBTL1CES2CES1
SCHEMBL23485288 0.75 HPGD (0.50) HPGDHTTL3MBTL1CES2CES1
SCHEMBL27398681 0.75 HTT (0.61) HPGDHTTL3MBTL1CES2CES1
SCHEMBL1258800 0.75 HPGD (0.50) HPGDHTTCES2CES1CA12
SCHEMBL9311005 0.75 HPGD (0.48) HPGDHTTL3MBTL1CES2CES1
SCHEMBL7214062 0.74 HPGD (0.49) HPGDHTTL3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077972-A1 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2001-02-28 EP disclosed
US-6140271-A 1-ETHYL-4-(2-METHYL-3-(3-OXETANYLOXY)-4-METHYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE, FOR EXAMPLE AND BENZOIC ACID CHEMICAL INTERMEDIATES; POSTEMERGENCE HERBICIDES DOW AGROSCIENCES LLC (US) 2000-10-31 US disclosed
WO-2000017194-A1 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2000-03-30 WO disclosed