SCHEMBL7609470

SCHEMBL7609470

CCCCCCCCc1ccccc1OCC[O].O=S(=O)(O)CCS(=O)(=O)O

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

DRD2

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
MGLL Q99685 1/20 0.44
PPARA Q07869 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42

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
Sulfuric Acid SCHEMBL3806665 0.93 THRA (0.51) THRATHRBLTB4RLTB4R2MGLL
Sulfuric Acid SCHEMBL7688961 0.93 THRA (0.51) THRATHRBLTB4RLTB4R2MGLL
Sulfuric Acid SCHEMBL5489950 0.93 THRA (0.51) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL2127883 0.91 THRA (0.51) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL2126464 0.90 LTB4R (0.52) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL8521939 0.89 THRB (0.54) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL10625676 0.89 THRB (0.54) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL10629984 0.89 THRB (0.54) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL10626121 0.89 THRB (0.54) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL170614 0.89 THRB (0.54) THRATHRBLTB4RLTB4R2PPARA

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-0770659-B1 DUST-PREVENTING METHOD MITSUI DU PONT FLUORCHEMICAL (JP) 2002-03-27 EP disclosed
EP-0770659-A1 METHOD OF CONTROLLING DUST DU PONT-MITSUI FLUOROCHEMICALS CO., LTD (JP) 1997-05-02 EP disclosed