SCHEMBL28711964

SCHEMBL28711964

CC(C)(Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
HIF1A Q16665 3/20 0.38
AAK1 Q2M2I8 2/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
LIPG Q9Y5X9 3/20 0.34
F2 P00734 2/20 0.34
F11 P03951 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
FFAR1 O14842 1/20 0.34
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
P4HB P07237 1/20 0.32
LPL P06858 2/20 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
SCHEMBL3476747 0.83 HIF1A (0.40) DGAT1HIF1APRMT5WDR77GSK3A
SCHEMBL28360858 0.79 DGAT1 (0.35) DGAT1HIF1AAAK1GSK3AGSK3B
SCHEMBL16039956 0.77 LIPG (0.48) DGAT1AAK1LIPGF2F11
SCHEMBL28515790 0.77 F2 (0.35) DGAT1HIF1AAAK1PRMT5WDR77
SCHEMBL30404549 0.76 LIPG (0.51) DGAT1HIF1APRMT5WDR77GSK3A
SCHEMBL15984293 0.75 LIPG (0.39) DGAT1HIF1AGSK3AGSK3BPDGFRB
SCHEMBL2049952 0.75 F11 (0.40) DGAT1HIF1AGSK3AGSK3BPDGFRB
SCHEMBL29633982 0.74 PRMT5 (0.57) DGAT1HIF1AAAK1PRMT5WDR77
SCHEMBL17966689 0.74 PRMT5 (0.57) DGAT1HIF1AAAK1PRMT5WDR77
SCHEMBL31227320 0.73 LPL (0.44) HIF1AGSK3AGSK3BLIPGF11

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-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed