SCHEMBL5319161

SCHEMBL5319161

CN1CC(O)CC1(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
FFAR3 O14843 1/20 0.32
ATM Q13315 1/20 0.31
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
STAT6 P42226 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14812012 1.00 APLNR (0.33) APLNRFFAR3ATMMAPK1TP53
SCHEMBL5318995 1.00 APLNR (0.33) APLNRFFAR3ATMMAPK1TP53
SCHEMBL29187643 0.81 APLNR (0.32) APLNRFFAR3
SCHEMBL17237784 0.79 APLNR (0.31) APLNRFFAR3
SCHEMBL19463058 0.79 APLNR (0.31) APLNRFFAR3
SCHEMBL1924641 0.79 APLNR (0.31) APLNRFFAR3
SCHEMBL16210838 0.76
SCHEMBL8272534 0.72
SCHEMBL77478 0.70 CHRM2 (0.41) SMN1; SMN2
SCHEMBL5203966 0.70 CHRM2 (0.41) SMN1; SMN2

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
WO-2007107319-A1 ISOLATION, STRUCTURE DETERMINATION, SYNTHESIS AND BIOACTIVITY OF DAMIPIPECOLIN AND DAMITURICIN BIOTECMARIN GMBH (DE) 2007-09-27 WO disclosed