SCHEMBL8895978

SCHEMBL8895978

CCCCCCCc1ccc(CCC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(CCCC(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR2 O95136 3/20 0.47
TBXAS1 P24557 5/20 0.47
TBXA2R P21731 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKT1 P31749 1/20 0.43
IRS1 P35568 1/20 0.43
GAB1 Q13480 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL8898267 1.00 S1PR1 (0.47) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8894975 0.99 NPSR1 (0.47) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8897707 0.96 NPSR1 (0.48) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8895059 0.95 TBXAS1 (0.50) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8894922 0.95 TBXAS1 (0.50) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8894873 0.95 TBXAS1 (0.50) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8895793 0.95 TBXAS1 (0.50) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8418163 0.94 TBXAS1 (0.49) S1PR1TBXAS1TBXA2RNPSR1UTS2R
SCHEMBL8895787 0.93 TBXAS1 (0.51) S1PR1S1PR3S1PR2TBXAS1TBXA2R
SCHEMBL8894907 0.93 NPSR1 (0.49) S1PR1TBXAS1TBXA2RNPSR1UTS2R

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