SCHEMBL6993129

SCHEMBL6993129

O=CNC1CCCc2c1c1cc(C(=O)CCC(=O)O)c(CCc3ccccc3)cc1n2Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
FABP4 P15090 1/20 0.36
PLA2G4A P47712 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC2 Q92769 1/20 0.33
ENPP2 Q13822 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL27862253 0.89 FABP4 (0.38) HTR6FABP4PLA2G4AEGLN1TBXA2R
SCHEMBL8577106 0.86 HTR6 (0.37) HTR6FABP4HDAC6HDAC8HDAC1
SCHEMBL6993132 0.85 FABP4 (0.35) HTR6FABP4PLA2G4AEGLN1TBXA2R
SCHEMBL818662 0.85 PLA2G2A (0.42) HTR6FABP4EGLN1
SCHEMBL6978340 0.79 PLA2G2A (0.41) HTR6TBXA2R
SCHEMBL8577109 0.78 HTR6 (0.36) HTR6
SCHEMBL6983124 0.78 PLA2G2A (0.40) HTR6FABP4
SCHEMBL6978338 0.77 HTR6 (0.36) HTR6FABP4HDAC6HDAC8HDAC2
SCHEMBL6129626 0.76 HTR6 (0.37) HTR6FABP4
SCHEMBL8575155 0.74 HTR6 (0.33) HTR6FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525901-A 2003-09-02 JP claimed
EP-1265607-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-12-18 EP claimed
WO-2001066110-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-09-13 WO claimed
WO-2001055108-A2 USE OF SPL A2 INHIBITORS FOR THE TREATMENT OF INFLAMMATION ELI LILLY AND COMPANY (US) 2001-08-02 WO claimed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO claimed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed