SCHEMBL6584067

SCHEMBL6584067

Cc1ccc(-n2c(Cl)nc3ccc(OCCCCCC(=O)O)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.48
PDE3A Q14432 5/20 0.48
PDE2A O00408 4/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
DPP4 P27487 6/20 0.47
P2RY12 Q9H244 2/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LTB4R Q15722 1/20 0.42
PLA2G2A P14555 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL5421328 0.90 PDE3B (0.50) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6582267 0.88 PDE3B (0.48) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL2327181 0.86 PPARG (0.52) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL5417074 0.85 PPARG (0.49) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL2213545 0.84 PPARG (0.46) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL2329776 0.84 SIRT2 (0.51) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6370131 0.83 PDE3B (0.44) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL5414904 0.82 AR (0.50) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6369472 0.82 PDE3B (0.46) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6167194 0.82 DPP4 (0.47) PDE3BPDE3APDE2APPARGPPARA

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-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