SCHEMBL1487731

SCHEMBL1487731

CCCCCCCCC(CCS(=O)(=O)O)OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
DNM1 Q05193 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
SMPD1 P17405 3/20 0.33
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RAD52 P43351 1/20 0.33

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 SCHEMBL1483369 0.92 S1PR2 (0.40) S1PR2S1PR1S1PR3TP53DNM1
Ammonia Solution, Strong SCHEMBL8708050 0.86 EPHX2 (0.40) S1PR2S1PR1S1PR3TP53DNM1
SCHEMBL8772499 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL16175782 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL30977011 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL8642161 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL429333 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL490564 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL30977034 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A
SCHEMBL30977030 0.85 MEN1 (0.48) TP53MEN1THRBHTTKMT2A

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-20110062030-A1 ELECTROLYTE COMPOSITION SCHOTT SOLAR AG (DE) 2011-03-17 US disclosed