SCHEMBL5872083

SCHEMBL5872083

O=C1CCCCCN1CCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
ACHE P22303 1/20 0.56
LTA4H P09960 1/20 0.54
KDM4E B2RXH2 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
MCHR1 Q99705 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL8882276 0.94 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2GAAACHEKDM4E
SCHEMBL5872163 0.90 L3MBTL1 (0.71) L3MBTL1SMN1; SMN2GAAACHEKDM4E
SCHEMBL917005 0.89 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2GAAACHEKDM4E
SCHEMBL7174354 0.84 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2GAAACHEKDM4E
SCHEMBL2132367 0.83 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2GAAACHEMCHR1
SCHEMBL13639218 0.82 RAB9A (0.49) SMN1; SMN2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL10504904 0.81 KMT2A (0.48) L3MBTL1GAAMEN1ALDH1A1KMT2A
SCHEMBL13946711 0.81 RAB9A (0.55) L3MBTL1MEN1ALDH1A1KMT2ARAB9A
SCHEMBL8551121 0.81 LTA4H (0.54) L3MBTL1SMN1; SMN2GAALTA4HSIGMAR1
SCHEMBL17117358 0.80 SIGMAR1 (0.56) LTA4HSIGMAR1SLC6A3

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-6991744-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-01-31 US disclosed