SCHEMBL5334338

SCHEMBL5334338

Cc1ccc(S(=O)(=O)CCOCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 6/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PAX8 Q06710 1/20 0.42
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17997014 0.87 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14445803 0.82 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14879973 0.81 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL5672462 0.81 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL3198374 0.81 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL16874960 0.81 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL564467 0.79 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL17997021 0.79 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL232719 0.79 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL5334117 0.79 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064291-A1 METHOD AND COMPOUNDS FOR RNA SYNTHESIS CHATTOPADHYAYA JYOTI (SE) 2007-06-07 WO disclosed
WO-2007064291-A1 METHOD AND COMPOUNDS FOR RNA SYNTHESIS CHATTOPADHYAYA JYOTI (SE) 2007-06-07 WO disclosed