SCHEMBL17010352

SCHEMBL17010352

COC(CC(C)F)(C(=O)O)c1ncccc1S(=O)(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
SLC13A5 Q86YT5 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ACLY P53396 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
SCHEMBL17010353 0.83 TRPV4 (0.38) TRPV4SLC13A5TSHRHTTACLY
SCHEMBL3150407 0.67 TRPV4 (0.50) TRPV4HTT
SCHEMBL30504944 0.67 TRPV4 (0.50) TRPV4HTT
SCHEMBL6573844 0.64 CA1 (0.35) TRPV4HTT
SCHEMBL17010354 0.64 TRPV4 (0.42) TRPV4MMP2MMP9MMP8MMP13
SCHEMBL12378235 0.62 L3MBTL1 (0.54) TRPV4MMP2MMP9MMP8MMP13
SCHEMBL6289772 0.62 TRPV4 (0.51) TRPV4TSHR
SCHEMBL30504923 0.61 TRPV4 (0.63) TRPV4HTT
SCHEMBL7867107 0.61 TRPV4 (0.63) TRPV4HTT
SCHEMBL21144313 0.61 TRPV4 (1.00) TRPV4

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