SCHEMBL8663733

SCHEMBL8663733

C=C(C)c1cc(C)c(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.42
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8663752 0.84 SLC9A1 (0.42) SLC9A1ALDH1A1
SCHEMBL8664932 0.83 SLC9A1 (0.39) SLC9A1
SCHEMBL6719348 0.83 SLC9A1 (0.57) SLC9A1
SCHEMBL8667463 0.83 SLC9A1 (0.41) SLC9A1ALDH1A1
SCHEMBL8667460 0.83 SLC9A1 (0.41) SLC9A1ALDH1A1
SCHEMBL8665237 0.81 SLC9A1 (0.31) SLC9A1
SCHEMBL6938080 0.78 SLC9A1 (0.45) SLC9A1
SCHEMBL7802080 0.78 SLC9A1 (0.74) SLC9A1
SCHEMBL8665724 0.77 KDM4E (0.35) SLC9A1ALDH1A1
SCHEMBL6938136 0.77 SLC9A1 (0.44) 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