SCHEMBL7861391

SCHEMBL7861391

[C-]#[N+]CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
FFAR1 O14842 2/20 0.57
FFAR4 Q5NUL3 1/20 0.57
BCHE P06276 6/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAOB P27338 3/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL12392016 0.82 LMNA (0.58) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL1461571 0.81 ALDH1A1 (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2023885 0.80 LTA4H (0.64) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL10609652 0.79 LMNA (0.75) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL339813 0.79 LMNA (0.82) LTA4HEPHX2BCHELMNACYP1A2
SCHEMBL12040562 0.78 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL5599 0.78 LTA4H (0.66) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL12630258 0.78 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL7861390 0.78 TSHR (0.50) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL1699213 0.77 LTA4H (0.64) LTA4HEPHX2FFAR1FFAR4BCHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070084-A4 PIPERAZINES AS INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE (FBPase) ONTOGEN CORP (US) 2001-09-12 EP disclosed
EP-1070084-A1 PIPERAZINES AS INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE (FBPase) Ontogen Corporation (US) 2001-01-24 EP disclosed
US-6107274-A ENZYME INHIBITORS AS HYPOGLYCEMIC AGENTS IN TREATMENT OF TYPE-II DIABETES ONTOGEN CORPORATION (US) 2000-08-22 US disclosed
WO-1999047549-A1 PIPERAZINES AS INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE (FBPase) ONTOGEN CORPORATION (US) 1999-09-23 WO disclosed