SCHEMBL28858840

SCHEMBL28858840

CCC(C(=O)O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.46
LPL P06858 3/20 0.46
AKR1C3 P42330 11/20 0.41
AKR1C2 P52895 11/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGS1 P23219 1/20 0.41
P4HB P07237 1/20 0.38
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ROCK1 Q13464 1/20 0.37

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
SCHEMBL1768087 0.83 LIPG (0.47) LIPGLPLAKR1C3AKR1C2AKR1C1
SCHEMBL1658478 0.82 PTGS1 (0.48) LIPGLPLAKR1C3AKR1C2AKR1C1
SCHEMBL16397301 0.78 LIPG (0.40) LIPGLPLP4HBROCK1
SCHEMBL12503163 0.77 LIPG (0.45) LIPGLPLP4HBROCK1
SCHEMBL20288359 0.77 LIPG (0.50) LIPGLPL
SCHEMBL20288427 0.77 LIPG (0.50) LIPGLPL
SCHEMBL27179468 0.77 LIPG (0.42) LIPGLPLP4HBROCK1
SCHEMBL27179471 0.77 LIPG (0.42) LIPGLPLP4HBROCK1
SCHEMBL22898355 0.77 NPC1 (0.36) LIPGLPL
SCHEMBL26217602 0.76 LIPG (0.49) LIPGLPLROCK1

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
CN-113683598-B Immunomodulator 成都先导药物开发股份有限公司 2022-10-14 CN disclosed
CN-113683598-A Immunomodulator 成都先导药物开发股份有限公司 2021-11-23 CN disclosed