SCHEMBL9064922

SCHEMBL9064922

[Li]c1c(N2CCCCC2)ccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.45
ALDH1A1 P00352 8/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.38
S100B P04271 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
KEAP1 Q14145 1/20 0.37
ADRB1 P08588 1/20 0.37
HTT P42858 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9065303 0.98 ALDH1A1 (0.46) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL9063707 0.74 GAA (0.43) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL9064919 0.74 GAA (0.43) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL533566 0.73 ALDH1A1 (0.53) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL9065218 0.72 LMNA (0.68) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9065302 0.72 ALDH1A1 (0.43) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL30228454 0.72 LMNA (0.68) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8894088 0.72 LMNA (0.68) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL533139 0.71 ALDH1A1 (0.55) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL19155956 0.71 HPGD (0.46) ALDH1A3ALDH1A1MAPTGAAMEN1

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
US-5521309-A ANIONIC POLYMERIZATION CATALYST BRIDGESTONE CORPORATION (JP) 1996-05-28 US claimed
US-5536801-A Allyl-and xylyl-amine containing elastomers and products having reduced hysteresis BRIDGESTONE CORPORATION (JP) 1996-07-16 US disclosed
US-5521309-A ANIONIC POLYMERIZATION CATALYST BRIDGESTONE CORPORATION (JP) 1996-05-28 US disclosed
US-5502131-A ORGANOLITHIUM CATALYST BRIDGESTONE CORPORATION (JP) 1996-03-26 US disclosed