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SCHEMBL8663328

SCHEMBL8663328

CC=C(C)c1ccc(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 3/20 0.34
▸ SLC9A2 Q9UBY0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ VCAM1 P19320 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8663326 1.00 SLC9A1 (0.34) SLC9A1SLC9A2ALDH1A1VCAM1PTGS2
SCHEMBL8665724 0.83 KDM4E (0.35) SLC9A1SLC9A2ALDH1A1VCAM1KDM4E
SCHEMBL8664001 0.83 SLC9A1 (0.35) SLC9A1SLC9A2ALDH1A1VCAM1KDM4E
SCHEMBL7802806 0.79 SLC9A1 (0.60) SLC9A1SLC9A2
SCHEMBL7802801 0.79 SLC9A1 (0.60) SLC9A1SLC9A2
SCHEMBL8667460 0.78 SLC9A1 (0.41) SLC9A1ALDH1A1
SCHEMBL8667463 0.78 SLC9A1 (0.41) SLC9A1ALDH1A1
SCHEMBL8667251 0.76 SMN1; SMN2 (0.34) SLC9A1SLC9A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8662480 0.75 PTGS2 (0.34) SLC9A1SLC9A2VCAM1PTGS2
SCHEMBL8662479 0.75 PTGS2 (0.34) SLC9A1SLC9A2VCAM1PTGS2

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