SCHEMBL7686586

SCHEMBL7686586

CCOC(CN1C(C)(C)c2c(Cl)cccc2S1(=O)=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
ELANE P08246 5/20 0.32
TP53 P04637 1/20 0.30
MDM2 Q00987 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
SCHEMBL7677799 0.75 CA2 (0.33) ELANE
SCHEMBL7684565 0.59 CA12 (0.45)
SCHEMBL23518159 0.57 CA9 (0.41) ELANETP53MDM2
SCHEMBL594533 0.56 BACE1 (0.42)
SCHEMBL30489921 0.56 BACE1 (0.42)
SCHEMBL28654290 0.55 PKM (0.42) PKM
SCHEMBL563821 0.55 KMT2A (0.47) PKM
SCHEMBL22069687 0.55 L3MBTL1 (0.47) PKM
SCHEMBL25166188 0.54 L3MBTL1 (0.37)
SCHEMBL28322086 0.54 LMNA (0.37) TP53

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-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed