SCHEMBL29933385

SCHEMBL29933385

CC1(C)OB(c2cccc(C3(O)CC3)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.46
LPL P06858 10/20 0.46
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
ROCK1 Q13464 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
F11 P03951 1/20 0.35
P4HB P07237 1/20 0.34
OPRD1 P41143 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL28843389 1.00 LIPG (0.46) LIPGLPLOPRM1OPRK1OPRL1
SCHEMBL22290862 0.91 LIPG (0.42) LIPGLPLROCK1IRAK4F11
SCHEMBL30765291 0.88 LIPG (0.43) LIPGLPLROCK1IRAK4F11
SCHEMBL28579043 0.82 LPL (0.33) LIPGLPLOPRM1OPRK1OPRL1
SCHEMBL24175626 0.81 LIPG (0.46) LIPGLPLROCK1IRAK4CA1
SCHEMBL30404611 0.81 LIPG (0.46) LIPGLPLROCK1IRAK4CA1
SCHEMBL16428162 0.80 LPL (0.50) LIPGLPLOPRM1OPRK1OPRL1
SCHEMBL22721855 0.79 AKR1C1 (0.42) LIPGLPLROCK1F11P4HB
SCHEMBL1476213 0.78 LIPG (0.59) LIPGLPLIRAK4F11P4HB
SCHEMBL22290338 0.78 LIPG (0.43) LIPGLPLROCK1IRAK4CA1

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
CN-112812113-B Immunomodulatory compounds, compositions and uses thereof 杭州和正医药有限公司 2022-09-20 CN disclosed