SCHEMBL4414532

SCHEMBL4414532

CC(=O)On1ccc2c(OCCCOS(C)(=O)=O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.41
BCHE P06276 3/20 0.41
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
MCL1 Q07820 4/20 0.38
PPARD Q03181 2/20 0.37

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
SCHEMBL4422680 0.85 CNR1 (0.40) HTR6BCHEPPARGPPARAMCL1
SCHEMBL3159492 0.80 PPARG (0.61) PPARGPPARAMCL1PPARD
SCHEMBL28781865 0.72 PPARG (0.40) HTR6PPARGPPARAMCL1PPARD
SCHEMBL4631786 0.71 LMNA (0.54)
SCHEMBL6747657 0.71 HTR1B (0.57)
SCHEMBL30189508 0.71 HTR1B (0.57)
SCHEMBL4416672 0.71 PTGDR2 (0.47) PPARGPPARAMCL1
SCHEMBL4425276 0.70 HTR2C (0.42) HTR6
SCHEMBL4414924 0.69 PTGDR2 (0.52) MCL1
SCHEMBL16493596 0.69 NOTUM (0.37) HTR6

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed