SCHEMBL9358175

SCHEMBL9358175

CC(C)NCCCCCCCCCCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
GRIA1 P42261 3/20 0.40
APP P05067 1/20 0.39
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRB2 P07550 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL21518356 0.98 APP (0.41) EPHX2GRIA1APPHRH4HRH3
SCHEMBL918376 0.93 APP (0.41) EPHX2GRIA1APPHRH4HRH3
Tetramethylammonium Ion SCHEMBL10010519 0.88 APP (0.37) EPHX2GRIA1APPHRH4HRH3
Tetramethylammonium Ion SCHEMBL10009563 0.88 APP (0.37) EPHX2GRIA1APPHRH4HRH3
SCHEMBL6969058 0.84 LMNA (0.36) EPHX2GRIA1APPKDM4ELMNA
Tetrylammonium SCHEMBL10009283 0.83 APP (0.33) EPHX2GRIA1APP
SCHEMBL25554432 0.82 APP (0.35) EPHX2GRIA1APPALDH1A1LMNA
SCHEMBL10010352 0.79 EPHX2 (0.37) EPHX2APPEPHX1CA1CA2
SCHEMBL841330 0.78 HRH4 (0.45) GRIA1HRH4HRH3EPHX1KDM4E
SCHEMBL2479475 0.78 HRH4 (0.45) GRIA1HRH4HRH3EPHX1KDM4E

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-0419915-B1 Wood preservative DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-12-21 EP disclosed
EP-0229899-B1 PAINTS DESOWAG Materialschutz GmbH (DE) 1991-07-03 EP disclosed
EP-0229899-A2 Paints DESOWAG Materialschutz GmbH (DE) 1987-07-29 EP disclosed
EP-0198165-A1 Wood preservative DESOWAG Materialschutz GmbH (DE) 1986-10-22 EP disclosed