SCHEMBL27693342

SCHEMBL27693342

OC[CH]c1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.50
▸ TLR4 O00206 1/20 0.49
▸ TLR2 O60603 1/20 0.49
▸ ALOX5 P09917 3/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ ALOX5AP P20292 1/20 0.48
▸ AKR1C3 P42330 1/20 0.46
▸ LTA4H P09960 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ BACE1 P56817 1/20 0.43

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
SCHEMBL11397964 0.83 TLR4 (0.50) EPORTLR4TLR2ALOX5PTGS1
SCHEMBL1251481 0.82 LTA4H (0.55) TLR4TLR2LTA4HTSHRLMNA
SCHEMBL11157827 0.82 EPOR (0.62) EPORTLR4TLR2ALOX5PTGS1
SCHEMBL30721682 0.82 EPOR (0.62) EPORTLR4TLR2ALOX5PTGS1
Ethylene Glycol SCHEMBL28556886 0.82 MAOA (0.57) EPORTLR4TLR2ALOX5PTGS1
SCHEMBL9359231 0.82 EPOR (0.62) EPORTLR4TLR2ALOX5PTGS1
SCHEMBL11193479 0.80 TLR4 (0.47) EPORTLR4TLR2ALOX5PTGS1
SCHEMBL1251512 0.79 CHRM5 (0.56) MAOBMAPT
SCHEMBL11124615 0.79 TLR4 (0.53) EPORTLR4TLR2ALOX5PTGS1
SCHEMBL11482497 0.79 MAOB (0.61) EPORTLR4TLR2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-88100088-A Parasiticidal ether compound — 1988-10-05 — — CN disclosed
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