SCHEMBL3389667

SCHEMBL3389667

CCCOS(=O)(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
ALPL P05186 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
S100A4 P26447 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
SCHEMBL196493 0.93 L3MBTL1 (0.42) L3MBTL1MAPTTSHRPTGDR2ALPL
SCHEMBL3630438 0.89 S1PR3 (0.38) L3MBTL1TSHRALDH1A1TDP1HPGD
SCHEMBL196527 0.84 L3MBTL1 (0.42) L3MBTL1MAPTTSHRPTGDR2ALDH1A1
SCHEMBL811604 0.81 TSHR (0.43) L3MBTL1MAPTTSHRPTGDR2ALPL
SCHEMBL198760 0.81 CA1 (0.41) L3MBTL1MAPTTSHRALDH1A1TDP1
SCHEMBL198864 0.81 CA1 (0.41) L3MBTL1MAPTTSHRALDH1A1TDP1
SCHEMBL196568 0.79 S100A4 (0.48) L3MBTL1TSHRALDH1A1HPGDTRPV4
SCHEMBL3696775 0.78 S100A4 (0.46) L3MBTL1TSHRALDH1A1HPGDTRPV4
SCHEMBL4301050 0.78 S100A4 (0.46) L3MBTL1TSHRALDH1A1HPGDTRPV4
SCHEMBL3695968 0.78 S100A4 (0.46) L3MBTL1TSHRALDH1A1HPGDTRPV4

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
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed