SCHEMBL5420162

SCHEMBL5420162

Cc1ccc(-n2c([S+]([O-])Cc3ccccc3)nc3ccc(OCCCCCC(=O)O)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PLA2G2A P14555 4/20 0.42
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
PDE2A O00408 4/20 0.41
DPP4 P27487 4/20 0.41
P2RY12 Q9H244 2/20 0.40
LTB4R Q15722 1/20 0.40
AR P10275 1/20 0.40
HCRTR1 O43613 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5412722 0.93 PDE3B (0.43) PPARGPPARAPLA2G2APDE3BPDE3A
SCHEMBL6377580 0.90 PDE3B (0.42) PPARGPPARAPLA2G2APDE3BPDE3A
SCHEMBL6369243 0.88 PPARG (0.44) PPARGPPARAPLA2G2APDE3BPDE3A
SCHEMBL6377586 0.85 DPP4 (0.48) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2327181 0.82 PPARG (0.52) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL5420165 0.81 PDE3B (0.44) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL5417074 0.81 PPARG (0.49) PPARGPPARAPLA2G2APDE3BPDE3A
SCHEMBL5418003 0.81 AR (0.49) PPARGPPARAPLA2G2APDE3BPDE3A
SCHEMBL5417434 0.80 PDE3B (0.44) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL5415305 0.80 PLA2G2A (0.44) PPARGPPARAPLA2G2APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196202-B2 1-aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2007-03-27 US disclosed
EP-1404656-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-07 EP disclosed
WO-2003006438-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-23 WO disclosed