SCHEMBL22748422

SCHEMBL22748422

CCCCCCCCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.97
LPL P06858 8/20 0.97
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
DHFR P00374 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14750160 0.94 LIPG (0.91) LIPGLPL
SCHEMBL25621003 0.92 LIPG (0.82) LIPGLPL
SCHEMBL16768507 0.90 LIPG (0.78) LIPGLPL
SCHEMBL12215735 0.88 LIPG (0.80) LIPGLPL
SCHEMBL30477495 0.88 LIPG (0.80) LIPGLPL
SCHEMBL15827505 0.85 LIPG (0.71) LIPGLPL
SCHEMBL15827513 0.85 LIPG (0.70) LIPGLPLDHFR
SCHEMBL10164577 0.85 LIPG (0.71) LIPGLPLTDP1L3MBTL1
SCHEMBL16601879 0.84 LPL (0.71) LIPGLPL
SCHEMBL29400355 0.84 LPL (0.71) LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed