SCHEMBL7769162

SCHEMBL7769162

OCc1ccccc1CCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHFR P00374 1/20 0.35
SLC18A2 Q05940 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL28165836 0.90 MEN1 (0.46) MEN1KMT2ASLC6A2SLC6A4TDP1
SCHEMBL31506376 0.81 MEN1 (0.40) MEN1KMT2ASLC6A2SLC6A4TDP1
SCHEMBL11346334 0.78 TAAR1 (0.50) MEN1KMT2ASLC6A2SLC6A4TDP1
SCHEMBL11254276 0.78 DPP4 (0.46) MEN1KMT2ASLC6A2SLC6A4TDP1
SCHEMBL7050745 0.78 SLC6A2 (0.63) SLC6A2SLC6A4TDP1SLC18A2
SCHEMBL29432878 0.77 TAAR1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL11455975 0.77 TAAR1 (0.48) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL14290122 0.77 TAAR1 (0.48) MEN1KMT2ASLC6A2SLC6A4TDP1
SCHEMBL1499296 0.77 TAAR1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL27702931 0.77 MEN1 (0.40) MEN1KMT2ASLC6A2SLC6A4TDP1

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-1114029-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-11 EP disclosed
WO-2000015614-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-23 WO disclosed