SCHEMBL17010353

SCHEMBL17010353

COC(CCCF)(C(=O)O)c1ncccc1S(=O)(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
SLC13A5 Q86YT5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ACLY P53396 1/20 0.30
SLC2A1 P11166 1/20 0.30
SSTR4 P31391 1/20 0.30
FABP1 P07148 1/20 0.30

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
SCHEMBL17010352 0.83 TRPV4 (0.42) TRPV4SLC13A5TSHRHTTACLY
SCHEMBL3150407 0.68 TRPV4 (0.50) TRPV4ALDH1A1HTT
SCHEMBL30504944 0.68 TRPV4 (0.50) TRPV4ALDH1A1HTT
SCHEMBL17010330 0.64 CHRM2 (0.35) SLC13A5SSTR4
SCHEMBL12378235 0.63 L3MBTL1 (0.54) TRPV4ALDH1A1POLBHTTACLY
SCHEMBL6680648 0.62 TRPV4 (0.50) TRPV4ALDH1A1
SCHEMBL30504923 0.62 TRPV4 (0.63) TRPV4ALDH1A1POLBHTT
SCHEMBL7867107 0.62 TRPV4 (0.63) TRPV4ALDH1A1POLBHTT
Trifluoroacetic Acid SCHEMBL14247260 0.61 NFE2L2 (0.48) TRPV4SLC13A5
SCHEMBL1827106 0.60 TRPV4 (0.51) TRPV4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015123228-A1 PROCESSES FOR THE SYNTHESIS OF INTERMEDIATES OF THE HERBICIDE FLUCETOSULFURON FMC CORPORATION (US) 2015-08-20 WO claimed
WO-2015123228-A1 PROCESSES FOR THE SYNTHESIS OF INTERMEDIATES OF THE HERBICIDE FLUCETOSULFURON FMC CORPORATION (US) 2015-08-20 WO disclosed