SCHEMBL9474669

SCHEMBL9474669

O=C(Oc1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.64
HDAC6 Q9UBN7 1/20 0.62
GPBAR1 Q8TDU6 1/20 0.59
CYSLTR1 Q9Y271 6/20 0.59
CYSLTR2 Q9NS75 5/20 0.59
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55

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
SCHEMBL9135133 0.86 GPBAR1 (0.66) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL9137854 0.86 GPBAR1 (0.66) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL9137219 0.85 GPBAR1 (0.67) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL8870875 0.83 ALOX5 (0.61) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
Bicarbonate SCHEMBL9374712 0.80 CYSLTR1 (0.72) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL9136835 0.80 GPBAR1 (0.57) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL9135728 0.80 GPBAR1 (0.57) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL9135724 0.80 GPBAR1 (0.57) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL9136840 0.80 GPBAR1 (0.57) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2
SCHEMBL10438460 0.79 CYSLTR1 (0.65) ALOX5HDAC6GPBAR1CYSLTR1CYSLTR2

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
US-5192771-A Lipoxygenase inhibitors as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 1993-03-09 US claimed