Sugi Predict

Sugi Predict / Compounds / SCHEMBL19647680

SCHEMBL19647680

SCHEMBL19647680

C[S+]([O-])c1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1CO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.40
▸ LPL P06858 5/20 0.36
▸ LIPG Q9Y5X9 5/20 0.36
▸ F11 P03951 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ FFAR1 O14842 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
SCHEMBL16021403 0.85 LIPG (0.43) ROCK1LPLLIPGF11CA1
SCHEMBL16021406 0.80 ROCK1 (0.40) ROCK1LPLLIPGF11CA1
SCHEMBL14488668 0.78 ROCK1 (0.39) ROCK1LPLLIPGF11CA1
SCHEMBL16011263 0.77 ROCK1 (0.44) ROCK1LPLLIPGF11CA1
SCHEMBL14488072 0.76 ROCK1 (0.38) ROCK1LPLLIPGF11FFAR1
SCHEMBL13064191 0.75 ROCK1 (0.40) ROCK1LPLLIPGF11CA1
SCHEMBL904152 0.75 LPL (0.47) ROCK1LPLLIPGF11CA1
SCHEMBL18305083 0.74 LIPG (0.40) ROCK1LPLLIPGF11CA1
SCHEMBL780202 0.74 ROCK1 (0.39) ROCK1LPLLIPGF11CA1
SCHEMBL12215730 0.74 LPL (0.44) ROCK1LPLLIPGF11CA1

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
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 — — EP disclosed