SCHEMBL7719742

SCHEMBL7719742

COC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccc(C)cc3)c2c1C.Cc1ccc(-n2c(-c3ccccc3)nc3c(O)cc(OCCCCCC(=O)O)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ LTB4R Q15722 3/20 0.37
▸ FABP4 P15090 3/20 0.37
▸ FABP3 P05413 1/20 0.36
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ P2RY12 Q9H244 3/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL2323700 0.88 LTB4R (0.46) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2326928 0.86 LTB4R (0.45) PPARGPPARALTB4RFABP4PDE3B
SCHEMBL2324225 0.86 LTB4R (0.48) PPARGPPARALTB4RFABP4SIRT2
SCHEMBL2323189 0.80 LTB4R (0.43) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2327922 0.80 LTB4R (0.46) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2330018 0.80 PDE3B (0.48) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL5420223 0.79 LTB4R (0.45) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2323012 0.79 LTB4R (0.44) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2326187 0.78 LTB4R (0.46) PPARGPPARALTB4RFABP4PDE3B
SCHEMBL2330597 0.78 LTB4R (0.46) PPARGPPARALTB4RFABP4PDE3B

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 4 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 claimed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 — — WO claimed
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
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