SCHEMBL7753530

SCHEMBL7753530

O=C(CC1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.54
CYSLTR2 Q9NS75 6/20 0.54
GPBAR1 Q8TDU6 1/20 0.49
ALOX5AP P20292 7/20 0.49
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
ALOX5 P09917 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL9121462 0.99 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL9360601 0.88 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL9364857 0.87 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7752204 0.87 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7751498 0.87 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7751238 0.87 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7751505 0.87 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL9360073 0.86 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL9364595 0.85 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7746715 0.85 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1

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
WO-2001035936-A2 USE OF SUBSTITUTED (QUINOLIN-2-YL-METHOXY)PHENYL-ACYL-SULPHONAMIDES AND -CYANAMIDES FOR THE TREATMENT OF DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed
US-5091392-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed