SCHEMBL11033727

SCHEMBL11033727

N#Cc1cccc(OCCCCCCBr)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.50
PRSS1 P07477 6/20 0.47
GSK3B P49841 1/20 0.47
FFAR1 O14842 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
SCHEMBL30826996 1.00 TBXAS1 (0.50) TBXAS1PRSS1GSK3BFFAR1
SCHEMBL22120309 1.00 TBXAS1 (0.50) TBXAS1PRSS1GSK3BFFAR1
SCHEMBL4948901 0.98 TBXAS1 (0.51) TBXAS1PRSS1GSK3BFFAR1
SCHEMBL5314368 0.93 TBXAS1 (0.52) TBXAS1PRSS1GSK3B
SCHEMBL7388461 0.92 TBXAS1 (0.56) TBXAS1PRSS1
SCHEMBL3901418 0.88 TBXAS1 (0.54) TBXAS1GSK3BFFAR1
SCHEMBL25168671 0.84 TSHR (0.59) TBXAS1
SCHEMBL14034743 0.84 TSHR (0.59) TBXAS1
SCHEMBL6957299 0.84 TSHR (0.59) TBXAS1
SCHEMBL5988834 0.84 TBXAS1 (0.50) TBXAS1PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031725-B1 PROCESS FOR PRODUCING AN ULTRATHIN SOLID MEMBRANE AND ITS USE FOR CONCENTRATING A SPECIFIED GAS IN A GASEOUS MIXTURE TEIJIN LIMITED (JP) 1985-03-27 EP disclosed
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 US disclosed