SCHEMBL7512149

SCHEMBL7512149

CCCCCCN(CCCCCC)c1ccc(CC(O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.47
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 2/20 0.46
LMNA P02545 2/20 0.46
ABCB11 O95342 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL8953687 1.00 CNR2 (0.47) CNR2CYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL8953693 0.85 PPARA (0.43) CNR2CYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL8953404 0.82 MEN1 (0.52) CNR2CYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL7513061 0.82 MEN1 (0.52) CNR2CYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL14496299 0.79 ALDH1A1 (0.60) CNR2ALDH1A1NPSR1L3MBTL1
SCHEMBL846128 0.78 ALDH1A1 (0.57) CNR2ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL15212627 0.77 NPC1 (0.48) CNR2ALDH1A1KDM4EGPR84FFAR1
SCHEMBL6656017 0.76 PPARA (0.48) CNR2
SCHEMBL12677177 0.76 CNR2 (0.46) CNR2KCNH2
SCHEMBL1815516 0.76 CNR2 (0.46) CNR2KCNH2

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
EP-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed