SCHEMBL14977874

SCHEMBL14977874

C=CC(N)CCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
BLM P54132 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL18822214 0.84
SCHEMBL7796157 0.80
SCHEMBL1535983 0.80
SCHEMBL4424346 0.80
SCHEMBL7653269 0.78 OPRM1 (0.48) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL5597865 0.78 OPRM1 (0.48) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL4373552 0.78 OPRM1 (0.48) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL5571899 0.78 OPRM1 (0.48) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL11219189 0.78 OPRM1 (0.48) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL8218531 0.78 OPRM1 (0.48) LMNAMEN1KMT2ASLC6A2SLC6A4

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
WO-2013077943-A1 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-05-30 WO disclosed