SCHEMBL7698175

SCHEMBL7698175

O=C(O)CC1CCCC1.c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 9/20 0.70
▸ CYSLTR2 Q9NS75 8/20 0.70
▸ ALOX5 P09917 8/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ GPBAR1 Q8TDU6 2/20 0.60
▸ FFAR1 O14842 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ ALOX5AP P20292 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
SCHEMBL8870875 0.86 ALOX5 (0.61) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL14021599 0.82 CYSLTR1 (1.00) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
Bicarbonate SCHEMBL9374712 0.81 CYSLTR1 (0.72) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL10547998 0.80 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL1793731 0.80 CYSLTR1 (0.74) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL9556595 0.80 ALOX5 (0.71) ALOX5HDAC6GPBAR1
SCHEMBL7752019 0.79 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL8965425 0.79 CYSLTR1 (0.64) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL9137219 0.79 GPBAR1 (0.67) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL9474669 0.78 ALOX5 (0.64) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1

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-6342510-B1 ANTIINFLAMMATORY AGENTS AND ENZYME INHIBITORS G. D. SEARLE & CO. 2002-01-29 — — US disclosed
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