SCHEMBL11238313

SCHEMBL11238313

CCCCCCCCCCCCCCCCNC(O)CS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
PPARA Q07869 2/20 0.44
EPHX1 P07099 10/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CASP2 P42575 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5498150 0.82 CA2 (0.44) CA2CA1PPARAEPHX1EPHX2
SCHEMBL9656661 0.82 CA2 (0.44) CA2CA1PPARAEPHX1EPHX2
SCHEMBL5376662 0.81 CA2 (0.43) CA2CA1PPARAEPHX1EPHX2
SCHEMBL7159366 0.81 CA2 (0.43) CA2CA1PPARAEPHX1EPHX2
SCHEMBL17817252 0.79 TP53 (0.43) CA2CA1PPARAEPHX1EPHX2
SCHEMBL26141009 0.78 CA2 (0.41) CA2CA1PPARAEPHX1ALDH1A1
SCHEMBL16390572 0.76 EPHX1 (0.46) EPHX1KDM4EALDH1A1ADH1BADH1C
SCHEMBL16390218 0.76 EPHX1 (0.46) EPHX1KDM4EALDH1A1ADH1BADH1C
SCHEMBL9016915 0.76 EPHX1 (0.46) EPHX1KDM4EALDH1A1ADH1BADH1C
SCHEMBL2236239 0.76 EPHX1 (0.46) EPHX1KDM4EALDH1A1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US claimed
US-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US disclosed