SCHEMBL9122807

SCHEMBL9122807

COC(=O)CC1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.60
CYSLTR1 Q9Y271 4/20 0.58
CYSLTR2 Q9NS75 3/20 0.58
GPBAR1 Q8TDU6 1/20 0.53
ALOX5 P09917 2/20 0.50

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
SCHEMBL9123925 1.00 ALOX5AP (0.60) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9125195 1.00 ALOX5AP (0.60) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9121483 0.89 CYSLTR1 (0.67) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9123403 0.89 CYSLTR1 (0.67) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9122067 0.89 CYSLTR1 (0.67) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9123140 0.89 CYSLTR1 (0.67) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9123411 0.89 CYSLTR1 (0.67) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9124616 0.87 CYSLTR1 (0.68) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7751238 0.85 CYSLTR1 (0.52) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7751498 0.85 CYSLTR1 (0.52) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5

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
US-5391747-A Lipoxygenase inhibitor; used as antiallergic, antiasthmatic and antiinflammatory agent BAYER AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
US-5091392-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed