SCHEMBL10892602

SCHEMBL10892602

O=C(CN1CCCC1)CN1CCCC1.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 8/20 0.50
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL17092622 0.97 GAA (0.56) GAAALDH1A1POLBMAPTHTT
SCHEMBL142180 0.94 GAA (0.61) GAAALDH1A1POLBMAPTHTT
Hydrochloric Acid SCHEMBL11699100 0.92 GAA (0.58) GAAALDH1A1POLBMAPTHTT
SCHEMBL28374088 0.84 ALDH1A1 (0.43) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4367541 0.83 GAA (0.50) GAAALDH1A1POLBMAPTHTT
SCHEMBL4367538 0.83 GAA (0.50) GAAALDH1A1POLBMAPTHTT
SCHEMBL1306310 0.81 GAA (0.48) GAAALDH1A1POLBMAPTHTT
SCHEMBL6039586 0.81 GAA (0.54) GAAALDH1A1POLBMAPTHTT
SCHEMBL8809555 0.81 GAA (0.48) GAAALDH1A1POLBMAPTHTT
SCHEMBL16935758 0.79 GAA (0.52) GAAALDH1A1POLBMAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0096875-B1 LITHIUM ALKOXIDE DIAMINES AS MODIFIERS FOR POLYMERIZATION OF DIENES USING LITHIUM-BASED INITIATORS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1986-10-08 EP disclosed
EP-0096875-A1 Lithium alkoxide diamines as modifiers for polymerization of dienes using lithium-based initiators THE FIRESTONE TIRE & RUBBER COMPANY (US) 1983-12-28 EP disclosed
US-4401800-A Lithium alkoxide diamines as modifiers for polymerization of dienes using lithium-based initiators THE FIRESTONE TIRE & RUBBER COMPANY (US) 1983-08-30 US disclosed