SCHEMBL9305731

SCHEMBL9305731

CCCCCCCCCc1ccc(OC2CO2)c2c1OCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.34
LTB4R2 Q9NPC1 9/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PPARA Q07869 2/20 0.32
TYR P14679 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL250560 0.84 HTR2A (0.37) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL251633 0.84 HTR2A (0.37) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL3262720 0.84 HTR2A (0.37) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL1525666 0.84 HTR2A (0.37) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL7934677 0.84 HTR2A (0.37) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL1270000 0.78 F7 (0.39) LTB4RLTB4R2HTR2AHTR2CHTR2B
Sulfuric Acid SCHEMBL1424848 0.78 LTB4R (0.38) LTB4RLTB4R2PPARATYRMEN1
Phosphoric Acid SCHEMBL7706766 0.78 LTB4R (0.38) LTB4RLTB4R2THRATHRBPPARA
SCHEMBL8521325 0.77 LTB4R (0.37) LTB4RLTB4R2PPARATYRMEN1
SCHEMBL9715594 0.76 ALDH1A1 (0.38) LTB4RLTB4R2HTR2AHTR2CHTR2B

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-5322946-A Reacting aromatic sulfonic acid or salt with alkali metal hydroxide in presence of surfactant KAWASAKI STEEL CORPORATION (JP) 1994-06-21 US disclosed