SCHEMBL23607758

SCHEMBL23607758

C[C@@H](c1cccc(B2OC(C)(C)C(C)(C)O2)c1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.37
LPL P06858 4/20 0.37
P4HB P07237 1/20 0.35
F2 P00734 3/20 0.34
F11 P03951 3/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ROCK1 Q13464 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
HIF1A Q16665 1/20 0.32
DGAT1 O75907 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
F10 P00742 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
ALOX5 P09917 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL17289557 0.85 F11 (0.42) LIPGLPLP4HBF2F11
SCHEMBL17289554 0.85 F11 (0.42) LIPGLPLP4HBF2F11
SCHEMBL27179471 0.81 LIPG (0.42) LIPGLPLP4HBF2F11
SCHEMBL27179468 0.81 LIPG (0.42) LIPGLPLP4HBF2F11
SCHEMBL4985164 0.79 ROCK1 (0.42) LIPGLPLP4HBF2F11
SCHEMBL1658478 0.78 PTGS1 (0.48) LIPGLPLP4HBHIF1A
SCHEMBL16468540 0.78 AAK1 (0.38) LIPGLPLROCK1AAK1HIF1A
SCHEMBL15609345 0.76 ALDH1A1 (0.43) ALOX5
SCHEMBL24387204 0.75 AAK1 (0.41) LIPGLPLROCK1AAK1HIF1A
SCHEMBL5206385 0.74 HIF1A (0.46) HIF1AALOX5

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed