SCHEMBL6755115

SCHEMBL6755115

CCCCCCCCCCCCS(=O)(=O)O.CNCCS(=O)(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
EPHX1 P07099 5/20 0.52
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
S1PR2 O95136 5/20 0.43
S1PR4 O95977 5/20 0.43
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR5 Q9H228 1/20 0.43
PPARA Q07869 2/20 0.42
FAAH O00519 2/20 0.42
RELA Q04206 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL7191869 0.96 EPHX2 (0.53) EPHX2EPHX1CA1CA2S1PR2
Dimethylamine SCHEMBL18008430 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL18008019 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL28640551 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL18008606 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL18008508 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL18008533 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL18008640 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL22191194 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA
Dimethylamine SCHEMBL29166688 0.86 EPHX2 (0.56) EPHX2EPHX1CA1CA2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225214-B1 Detergent composition SHISEIDO CO LTD (JP) 2004-05-06 EP disclosed
EP-0999260-B1 Detergent composition SHISEIDO CO LTD (JP) 2003-12-10 EP disclosed
EP-1225214-A2 Detergent composition SHISEIDO COMPANY LIMITED (JP) 2002-07-24 EP disclosed
US-6303559-B1 ALKALI METAL N-METHYLTAURATE SALT OF AN N-ACYLMETHYLTAURINE SHISEIDO COMPANY, LTD. (JP) 2001-10-16 US disclosed
EP-0999260-A2 Detergent composition SHISEIDO COMPANY LIMITED (JP) 2000-05-10 EP disclosed