SCHEMBL28980371

SCHEMBL28980371

CCC(C(=O)O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.41
▸ ITGA2B P08514 7/20 0.41
▸ ROCK1 Q13464 1/20 0.37
▸ BACE1 P56817 2/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ LPL P06858 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL29896800 0.83 BACE1 (0.41) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL15796518 0.83 BACE1 (0.41) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL18765483 0.83 ALOX15 (0.43) ROCK1BACE1ALOX15MAPTSMN1; SMN2
SCHEMBL18765486 0.83 ALOX15 (0.43) ROCK1BACE1ALOX15MAPTSMN1; SMN2
SCHEMBL28980408 0.80 ITGB3 (0.37) ITGB3ITGA2BROCK1BACE1PRMT5
SCHEMBL29896931 0.78 KCNH2 (0.42) ROCK1LIPGPRMT5WDR77LPL
SCHEMBL15796700 0.78 KCNH2 (0.42) ROCK1LIPGPRMT5WDR77LPL
SCHEMBL29421580 0.77 GRM5 (0.47) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL2041556 0.77 GRM5 (0.47) ROCK1BACE1LIPGPRMT5WDR77
SCHEMBL27157771 0.76 BACE1 (0.38) ROCK1BACE1LIPGPRMT5WDR77

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-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 — — CN disclosed
Send feedback