SCHEMBL8743387

SCHEMBL8743387

CCCCCCCC/C=C/CCCCCCCCN(C)CCS(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.54
PPARA Q07869 2/20 0.45
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 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
SCHEMBL757909 1.00 EPHX2 (0.54) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL757911 1.00 EPHX2 (0.54) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL29714277 0.98 EPHX2 (0.52) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL30238243 0.98 EPHX2 (0.52) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL8388884 0.98 EPHX2 (0.52) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL180860 0.98 EPHX2 (0.52) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL128136 0.98 EPHX2 (0.52) EPHX2PPARAS1PR2S1PR1S1PR3
SCHEMBL4096856 0.98 EPHX2 (0.52) EPHX2PPARAS1PR2S1PR1S1PR3
Sulfuric Acid SCHEMBL17743520 0.90 EPHX2 (0.51) EPHX2PPARAS1PR2S1PR1S1PR3
Sulfuric Acid SCHEMBL17743518 0.90 EPHX2 (0.51) EPHX2PPARAS1PR2S1PR1S1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342633-B1 Transformation du Bacillus thuringiensis CIBA GEIGY AG (CH) 1997-01-08 EP disclosed
EP-0238441-B1 Insecticidal proteinaceous substance CIBA GEIGY AG (CH) 1993-11-10 EP disclosed
EP-0440581-A1 Temperature stable bacillus thuringiensis-toxin CIBA-GEIGY AG (CH) 1991-08-07 EP disclosed
EP-0238441-A2 Insecticidal proteinaceous substance CIBA-GEIGY AG (CH) 1987-09-23 EP disclosed