SCHEMBL11080708

SCHEMBL11080708

C=CCc1cc(Oc2cc(CC=C)c(S(=O)(=O)O)c3c2CCO3)c2c(c1S(=O)(=O)O)OCC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 3/20 0.34
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
TEAD3 Q99594 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
Sulfuric Acid SCHEMBL9689209 0.81 POLB (0.35) CYP3A4ALOX15POLBTEAD1TEAD4
Sulfuric Acid SCHEMBL7193352 0.80 POLB (0.34) CYP3A4ALOX15POLBTEAD1TEAD4
SCHEMBL8926874 0.74 POLB (0.34) CYP3A4ALOX15POLBTEAD1TEAD4
SCHEMBL461683 0.74 CYP3A4 (0.37) CYP3A4ALOX15POLBHTR2AHTR2C
SCHEMBL11809717 0.67 POLB (0.39) CYP3A4ALOX15POLBALDH1A1
SCHEMBL2596121 0.64 POLB (0.35) POLBHTR2AHTR2CHTR2B
SCHEMBL4634142 0.63 GABRA1 (0.46) CYP3A4POLBALDH1A1
SCHEMBL11667886 0.63 CYP3A4 (0.33) CYP3A4ALOX15POLB
SCHEMBL1647548 0.63 GABRA1 (0.46) CYP3A4ALOX15POLBALDH1A1
SCHEMBL24163662 0.62 HTR2A (0.55) CYP3A4ALOX15POLBHTR2AHTR2C

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-4497720-A LUBRICATING WITH MIXTURE OF POLYETHER AND A FLUORINE-CONTAINING SURFACTANT; ANTISLUDGING AGENTS; TEXTILES TEIJIN LIMITED (JP) 1985-02-05 US disclosed