SCHEMBL6168820

SCHEMBL6168820

CC(C)S(=O)(=O)c1nc2ccc(OCCCCCC(=O)O)cc2n1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.45
PDE3A Q14432 5/20 0.45
PDE2A O00408 4/20 0.45
PDE10A Q9Y233 7/20 0.43
CYP1A2 P05177 6/20 0.43
P2RY12 Q9H244 2/20 0.42
PLA2G2A P14555 2/20 0.41
DPP4 P27487 3/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL6167194 0.93 DPP4 (0.47) PDE3BPDE3APDE2AP2RY12PLA2G2A
SCHEMBL6168443 0.92 PDE3B (0.46) PDE3BPDE3APDE2APDE10ACYP1A2
SCHEMBL5419625 0.86 PDE3B (0.44) PDE3BPDE3APDE2APDE10ACYP1A2
SCHEMBL5422345 0.85 PLA2G2A (0.43) PDE3BPDE3APDE2APDE10ACYP1A2
SCHEMBL6170153 0.83 PDE3B (0.46) PDE3BPDE3APDE2AP2RY12DPP4
SCHEMBL6368872 0.82 PPARG (0.44) PDE3BPDE3APDE2APDE10ACYP1A2
SCHEMBL5415370 0.81 PDE3B (0.51) PDE3BPDE3APDE2APDE10ACYP1A2
SCHEMBL5415305 0.81 PLA2G2A (0.44) PDE3BPDE3APDE2AP2RY12PLA2G2A
SCHEMBL5413243 0.80 PDE3B (0.50) PDE3BPDE3APDE2APDE10ACYP1A2
SCHEMBL2323904 0.80 PPARA (0.48) PDE3BPDE3APDE2APDE10ACYP1A2

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-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP claimed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP claimed