SCHEMBL11010044

SCHEMBL11010044

CCCCCCCCCCCC[N+]1(CCCS(=O)(=O)[O-])CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.39
EPHX2 P34913 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 2/20 0.32
BBOX1 O75936 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL29022080 0.92 CDC25A (0.34) CDC25AEPHX2SMN1; SMN2BBOX1
SCHEMBL18319467 0.89 EPHX2 (0.38) EPHX2SMN1; SMN2RECQLBBOX1GLA
SCHEMBL12109965 0.86 EPHX2 (0.37) CDC25AEPHX2FAAH
SCHEMBL12109964 0.86 EPHX2 (0.37) CDC25AEPHX2FAAH
Water SCHEMBL10999817 0.84 EPHX2 (0.36) CDC25AEPHX2FAAH
SCHEMBL740937 0.84 BBOX1 (0.33) SMN1; SMN2BBOX1TSHRMAPK1
SCHEMBL14059907 0.84 SMN1; SMN2 (0.47) EPHX2SMN1; SMN2RECQLBBOX1GLA
Sulfuric Acid SCHEMBL21819838 0.84 CDC25A (0.40) CDC25AEPHX2RECQLGLAHPGD
SCHEMBL4071466 0.83 CDC25A (0.41) CDC25ATSHR
SCHEMBL10537448 0.83 CDC25A (0.41) CDC25ATSHR

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
EP-0134483-A2 Skin care composition S.C. JOHNSON & SON, INC. (US) 1985-03-20 EP disclosed
US-3962418-A Mild thickened shampoo compositions with conditioning properties THE PROCTER & GAMBLE COMPANY (US) 1976-06-08 US disclosed