SCHEMBL8667529

SCHEMBL8667529

CC=CCCc1ccc(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL8667526 1.00 SLC9A1 (0.33) SLC9A1SLC9A2THRATHRBEPHX2
SCHEMBL8667466 0.88 KMT2A (0.32) SLC9A1SLC9A2THRATHRB
SCHEMBL8667468 0.88 KMT2A (0.32) SLC9A1SLC9A2THRATHRB
SCHEMBL8666392 0.86 SLC9A1 (0.35) SLC9A1SLC9A2THRATHRB
SCHEMBL8666395 0.86 SLC9A1 (0.35) SLC9A1SLC9A2THRATHRB
SCHEMBL8666430 0.85 SLC9A1 (0.32) SLC9A1SLC9A2EPHX2
SCHEMBL7800762 0.82 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL7800759 0.82 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL8663093 0.80 SLC9A1 (0.39) SLC9A1
SCHEMBL8663090 0.80 SLC9A1 (0.39) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed