SCHEMBL9474665

SCHEMBL9474665

O=C(O)C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.61
CYSLTR1 Q9Y271 7/20 0.60
CYSLTR2 Q9NS75 5/20 0.60
ALOX5AP P20292 9/20 0.58
ALOX5 P09917 2/20 0.57
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57
HDAC6 Q9UBN7 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
SCHEMBL9374708 0.99 GPBAR1 (0.62) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9474610 0.87 ALOX5AP (0.59) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9473998 0.85 CYSLTR2 (0.57) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9123140 0.84 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9123411 0.84 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9122067 0.84 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9123403 0.84 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9121483 0.84 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9124616 0.83 CYSLTR1 (0.68) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9124030 0.81 CYSLTR1 (0.55) GPBAR1CYSLTR1CYSLTR2ALOX5APALOX5

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