SCHEMBL23597018

SCHEMBL23597018

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.44
▸ DGAT1 O75907 1/20 0.37
▸ LPL P06858 9/20 0.37
▸ LIPG Q9Y5X9 9/20 0.37
▸ HIF1A Q16665 2/20 0.35
▸ F11 P03951 2/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ EGFR P00533 1/20 0.32

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
SCHEMBL16008825 0.87 FFAR1 (0.40) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL30523101 0.87 FFAR1 (0.40) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL22185786 0.86 LPL (0.40) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL22289520 0.84 FFAR1 (0.42) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL406138 0.83 AR (0.40) FFAR1LPLLIPGF11F2
SCHEMBL29506948 0.83 AR (0.40) FFAR1LPLLIPGF11F2
SCHEMBL22977685 0.82 DGAT1 (0.38) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL24023348 0.82 LPL (0.37) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL12989288 0.81 FFAR1 (0.36) FFAR1DGAT1LPLLIPGHIF1A
SCHEMBL13195651 0.80 CA1 (0.38) FFAR1DGAT1LPLLIPGHIF1A

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-2021129621-A1 PYRAZOLE COMPOUNDS 江苏先声药业有限公司 2021-07-01 — — WO disclosed
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