SCHEMBL8895261

SCHEMBL8895261

O=C(O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.45
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TBXAS1 P24557 7/20 0.41
PPARG P37231 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8896379 1.00 TBXA2R (0.45) TBXA2RALDH1A1TP53GAANPSR1
SCHEMBL8894954 0.99 TBXA2R (0.46) TBXA2RALDH1A1TP53GAANPSR1
SCHEMBL8895594 0.97 TBXA2R (0.44) TBXA2RALDH1A1TP53GAANPSR1
SCHEMBL8894937 0.96 TBXA2R (0.45) TBXA2RALDH1A1TP53GAANPSR1
SCHEMBL8895838 0.94 TBXA2R (0.47) TBXA2RALDH1A1TP53GAANPSR1
SCHEMBL8896248 0.93 NPSR1 (0.49) TBXA2RALDH1A1NPSR1TBXAS1
SCHEMBL8897438 0.92 NPSR1 (0.50) TBXA2RALDH1A1NPSR1TBXAS1
SCHEMBL8895561 0.89 TBXAS1 (0.42) TBXA2RALDH1A1TBXAS1PPARG
SCHEMBL8897202 0.89 TBXAS1 (0.42) TBXA2RALDH1A1TBXAS1PPARG
SCHEMBL8897249 0.88 IDO1 (0.49) ALDH1A1NPSR1PPARG

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