SCHEMBL1083369

SCHEMBL1083369

C=CCc1ccc(C)c(S(=O)(=O)O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
ELANE P08246 1/20 0.31
GAA P10253 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL1734600 0.81 POLB (0.38) POLBMEN1KMT2AALOX5PTGS1
SCHEMBL18074247 0.79 POLB (0.41) POLBMEN1KMT2AALOX5PTGS1
SCHEMBL1083364 0.78 HPGD (0.35) POLBHPGDGAAFFAR4
SCHEMBL729518 0.78 GABRA1 (0.43) POLBMEN1KMT2AALOX5PTGS1
SCHEMBL8773429 0.77 POLB (0.33) POLBHPGDGAAFFAR4
Methane SCHEMBL27309395 0.76 GABRA1 (0.42) POLBHPGDMEN1KMT2AALOX5
SCHEMBL27650847 0.75 TDP1 (0.36) POLBHPGDMEN1KMT2AGAA
SCHEMBL1838149 0.73 SRD5A1 (0.41) POLBHPGDMEN1KMT2AALOX5
SCHEMBL729517 0.71 POLB (0.57) POLBHPGDMEN1KMT2AALOX5
Succinic Acid SCHEMBL27674621 0.71 GABRA1 (0.37) POLBMEN1KMT2APTGS2GABRA1

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-20110020170-A1 METAL NANOPARTICLES STABILIZED WITH DERIVATIZED POLYETHYLENEIMINES OR POLYVINYLAMINES BASF SE (DE) 2011-01-27 US disclosed