SCHEMBL6978338

SCHEMBL6978338

CCC(CCOc1cc2c3c(n(Cc4ccccc4)c2cc1CCc1ccccc1)CCCC3NC=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
PPARG P37231 9/20 0.35
PPARA Q07869 7/20 0.35
PPARD Q03181 6/20 0.35
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FABP4 P15090 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 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
SCHEMBL818662 0.86 PLA2G2A (0.42) HTR6FABP4
SCHEMBL6978340 0.85 PLA2G2A (0.41) HTR6
SCHEMBL8577106 0.85 HTR6 (0.37) HTR6HDAC8HDAC6FABP4
SCHEMBL8577109 0.79 HTR6 (0.36) HTR6
SCHEMBL27862253 0.79 FABP4 (0.38) HTR6HDAC2HDAC8HDAC6FABP4
SCHEMBL6993132 0.79 FABP4 (0.35) HTR6HDAC2HDAC8HDAC6FABP4
SCHEMBL6983124 0.79 PLA2G2A (0.40) HTR6FABP4
SCHEMBL6970677 0.78 PLA2G2A (0.39) HTR6
SCHEMBL6993129 0.77 HTR6 (0.38) HTR6HDAC2HDAC8HDAC6FABP4
SCHEMBL8575157 0.74 HTR6 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed