SCHEMBL30477495

SCHEMBL30477495

CCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.80
LPL P06858 12/20 0.80
F11 P03951 1/20 0.39
ESR2 Q92731 1/20 0.36
DGAT1 O75907 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
EGFR P00533 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL12215735 1.00 LIPG (0.80) LIPGLPLF11ESR2DGAT1
SCHEMBL14750160 0.90 LIPG (0.91) LIPGLPLF11
SCHEMBL22748422 0.88 LIPG (0.97) LIPGLPL
SCHEMBL23071684 0.87 LIPG (0.70) LIPGLPLF11DGAT1
SCHEMBL18332737 0.86 LIPG (0.69) LIPGLPLF11ESR2DGAT1
SCHEMBL4751545 0.85 LIPG (0.68) LIPGLPLF11
SCHEMBL29478527 0.85 LIPG (0.68) LIPGLPLF11ESR2DGAT1
SCHEMBL4315178 0.85 LIPG (0.68) LIPGLPLF11ESR2DGAT1
SCHEMBL25813029 0.85 LIPG (0.68) LIPGLPLF11ESR2DGAT1
SCHEMBL24837499 0.84 LIPG (0.67) LIPGLPLF11ESR2DGAT1

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
EP-3640242-B1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN LTD (CN) 2023-04-19 EP disclosed