SCHEMBL7717779

SCHEMBL7717779

Cc1ccc(-n2c(-c3ccccc3)nc3ccc(Oc4cccc(OCCCC(=O)O)c4)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.57
FFAR1 O14842 3/20 0.50
PPARG P37231 4/20 0.47
PPARA Q07869 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
P2RY12 Q9H244 1/20 0.43
CHEK2 O96017 1/20 0.43
DHFR P00374 2/20 0.42
PIN1 Q13526 1/20 0.42
DPP4 P27487 1/20 0.42
PDE2A O00408 1/20 0.42
ESRRA P11474 1/20 0.42
HCRTR1 O43613 1/20 0.42

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
SCHEMBL7721665 0.94 FFAR4 (0.59) FFAR4FFAR1PPARGPPARASIRT2
SCHEMBL2332168 0.92 FFAR4 (0.47) FFAR4FFAR1PPARGSIRT2SIRT1
SCHEMBL2327181 0.91 PPARG (0.52) FFAR4PPARGPPARASIRT2SIRT1
SCHEMBL9281680 0.88 PDE3B (0.47) FFAR4FFAR1PPARGPPARACYSLTR2
SCHEMBL2329776 0.87 SIRT2 (0.51) FFAR4PPARGPPARASIRT2SIRT1
SCHEMBL2327149 0.86 FFAR4 (0.48) FFAR4FFAR1PPARGSIRT2SIRT1
SCHEMBL9281733 0.85 PDE3B (0.47) PPARGPPARACYSLTR2CYSLTR1PDE3B
SCHEMBL2211572 0.85 G6PD (0.46) FFAR4PPARGPPARAPDE3BPDE3A
SCHEMBL4590119 0.84 LTB4R (0.48) FFAR4FFAR1PPARGPPARAPDE3B
SCHEMBL2323904 0.84 PPARA (0.48) PPARGPPARAPDE3BPDE3AP2RY12

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-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed