SCHEMBL8897438

SCHEMBL8897438

O=C(O)CCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
TBXA2R P21731 2/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.46
FFAR1 O14842 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TBXAS1 P24557 1/20 0.43
IDO1 P14902 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL8896248 0.99 NPSR1 (0.49) NPSR1TBXA2RALDH1A1MAPTFFAR1
SCHEMBL8894954 0.93 TBXA2R (0.46) NPSR1TBXA2RALDH1A1TBXAS1
SCHEMBL8895261 0.92 TBXA2R (0.45) NPSR1TBXA2RALDH1A1TBXAS1
SCHEMBL8896379 0.92 TBXA2R (0.45) NPSR1TBXA2RALDH1A1TBXAS1
SCHEMBL8894937 0.92 TBXA2R (0.45) NPSR1TBXA2RALDH1A1TBXAS1
SCHEMBL8895594 0.91 TBXA2R (0.44) NPSR1TBXA2RALDH1A1TBXAS1
SCHEMBL8895838 0.88 TBXA2R (0.47) NPSR1TBXA2RALDH1A1TBXAS1
SCHEMBL8896800 0.88 IDO1 (0.46) NPSR1TBXA2RALDH1A1MAPTTBXAS1
SCHEMBL8895621 0.87 IDO1 (0.45) NPSR1TBXA2RALDH1A1MAPTTBXAS1
SCHEMBL8895764 0.84 TBXA2R (0.42) TBXA2RALDH1A1TBXAS1IDO1PSEN1

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