SCHEMBL22289552

SCHEMBL22289552

CC(=O)OCC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.45
▸ HIF1A Q16665 4/20 0.38
▸ AAK1 Q2M2I8 3/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ LIPG Q9Y5X9 2/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ F11 P03951 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 2/20 0.32
▸ PRSS3 P35030 2/20 0.32
▸ LPL P06858 1/20 0.32
▸ CCR9 P51686 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
SCHEMBL24023373 0.81 DGAT1 (0.39) DGAT1HIF1AAAK1FFAR1PRMT5
SCHEMBL22289520 0.81 FFAR1 (0.42) DGAT1HIF1AAAK1FFAR1PRMT5
SCHEMBL24023421 0.79 DGAT1 (0.42) DGAT1HIF1AAAK1FFAR1PRMT5
SCHEMBL1476168 0.78 DGAT1 (0.38) DGAT1HIF1AAAK1PRMT5WDR77
SCHEMBL22977685 0.77 DGAT1 (0.38) DGAT1HIF1AAAK1FFAR1PRMT5
SCHEMBL23597018 0.76 FFAR1 (0.44) DGAT1HIF1AAAK1FFAR1PRMT5
SCHEMBL16008825 0.76 FFAR1 (0.40) DGAT1HIF1AFFAR1LIPGLPL
SCHEMBL30523101 0.76 FFAR1 (0.40) DGAT1HIF1AFFAR1LIPGLPL
SCHEMBL22185786 0.75 LPL (0.40) DGAT1HIF1AAAK1FFAR1LIPG
SCHEMBL22312167 0.74 CCR9 (0.35) CCR9

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-3917513-A1 SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING Capulus Therapeutics, LLC (US) 2021-12-08 — — EP disclosed
WO-2020159889-A1 SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING CAPULUS THERAPEUTICS, LLC (US) 2020-08-06 — — WO disclosed
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