SCHEMBL9529396

SCHEMBL9529396

CCOC(=O)C(CCCCCCBr)OCCOC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.35
CPB2 Q96IY4 2/20 0.35
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.30
ASAH1 Q13510 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
SCHEMBL28468299 0.88 ZDHHC7 (0.44) ZDHHC7CPB2L3MBTL1MAPTKMT2A
SCHEMBL7069715 0.76 ZDHHC7 (0.43) ZDHHC7CPB2ALDH1A1L3MBTL1MAPT
SCHEMBL7077005 0.76 ZDHHC7 (0.43) ZDHHC7CPB2ALDH1A1L3MBTL1MAPT
SCHEMBL8436602 0.75 ALDH1A1 (0.37) ALDH1A1TRPA1TDP1TSHRCYP3A4
SCHEMBL29119233 0.74 FAAH (0.44) ZDHHC7ALDH1A1TSHRMAPT
SCHEMBL29119376 0.74 FAAH (0.44) ZDHHC7ALDH1A1TSHRMAPT
SCHEMBL29119365 0.74 FAAH (0.44) ZDHHC7ALDH1A1TSHRMAPT
SCHEMBL29119278 0.74 FAAH (0.44) ZDHHC7ALDH1A1TSHRMAPT
SCHEMBL29119069 0.74 FAAH (0.44) ZDHHC7ALDH1A1TSHRMAPT
SCHEMBL29064892 0.74 CPB2 (0.37) CPB2ALDH1A1TDP1TSHRCYP3A4

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
EP-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed