SCHEMBL8896960

SCHEMBL8896960

CCCCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TBXAS1 P24557 3/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR2 O95136 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8898417 0.91 ALDH1A1 (0.52) ALDH1A1NPSR1ATML3MBTL1CYSLTR2
SCHEMBL8418163 0.91 TBXAS1 (0.49) ALDH1A1NPSR1ATML3MBTL1UTS2R
SCHEMBL8896292 0.91 NPSR1 (0.48) ALDH1A1NPSR1ATML3MBTL1CYSLTR2
SCHEMBL8896796 0.91 FFAR1 (0.49) ALDH1A1NPSR1ATML3MBTL1TBXAS1
SCHEMBL8895460 0.90 UTS2R (0.44) ALDH1A1NPSR1ATML3MBTL1UTS2R
SCHEMBL8895656 0.90 NPSR1 (0.47) ALDH1A1NPSR1ATML3MBTL1CYSLTR2
SCHEMBL8895793 0.90 TBXAS1 (0.50) ALDH1A1NPSR1ATML3MBTL1UTS2R
SCHEMBL8894922 0.90 TBXAS1 (0.50) ALDH1A1NPSR1ATML3MBTL1UTS2R
SCHEMBL8894873 0.90 TBXAS1 (0.50) ALDH1A1NPSR1ATML3MBTL1UTS2R
SCHEMBL8898633 0.90 FFAR1 (0.48) ALDH1A1NPSR1ATML3MBTL1TBXAS1

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-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed