SCHEMBL47382

SCHEMBL47382

O=C(CCn1ccnc1)CC(=O)CCn1ccnc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.69
TBXAS1 P24557 11/20 0.56
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FDPS P14324 1/20 0.46

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
SCHEMBL10780853 0.85 EGLN3 (0.65) EGLN3TBXAS1ALDH1A1
SCHEMBL10780776 0.83 EGLN3 (0.62) EGLN3TBXAS1ALDH1A1
SCHEMBL2001103 0.82 EGLN3 (1.00) EGLN3TBXAS1ALDH1A1
SCHEMBL10780669 0.80 TBXAS1 (0.59) EGLN3TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9706341 0.80 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1FDPS
Hydrochloric Acid SCHEMBL17337465 0.80 EGLN3 (0.96) EGLN3TBXAS1ALDH1A1
Water SCHEMBL27758383 0.80 EGLN3 (0.96) EGLN3TBXAS1ALDH1A1
SCHEMBL45932 0.80 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1FDPS
SCHEMBL6953219 0.80 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1FDPS
SCHEMBL4288379 0.80 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1

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
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed